User contributions for Kaltakm
29 October 2019
- 10:3710:37, 29 October 2019 diff hist 0 IOP Chester 2019 →Lectures
- 10:3710:37, 29 October 2019 diff hist −1 IOP Chester 2019 →Lectures
- 10:3610:36, 29 October 2019 diff hist −7 IOP Chester 2019 →Lectures
23 October 2019
- 17:3817:38, 23 October 2019 diff hist +3 IOP Chester 2019 →Tutorials
- 16:5716:57, 23 October 2019 diff hist +132 IOP Chester 2019 →Tutorials
- 15:0815:08, 23 October 2019 diff hist +1 IOP Chester 2019 →Lectures
- 12:4512:45, 23 October 2019 diff hist +184 IOP Chester 2019 →Lectures
- 11:1811:18, 23 October 2019 diff hist +15 IOP Chester 2019 →Surfaces
- 11:0311:03, 23 October 2019 diff hist +142 IOP Chester 2019 →Allocating Computing Nodes and Environment Setup
- 10:4910:49, 23 October 2019 diff hist +1 IOP Chester 2019 →Surfaces
- 10:4710:47, 23 October 2019 diff hist +186 IOP Chester 2019 →Further Examples
22 October 2019
- 16:0716:07, 22 October 2019 diff hist 0 IOP Chester 2019 →Allocating Computing Nodes and Environment Setup
- 16:0416:04, 22 October 2019 diff hist −1 IOP Chester 2019 →Allocating Computing Nodes and Environment Setup
- 15:5315:53, 22 October 2019 diff hist +15 IOP Chester 2019 →Allocating Computing Nodes and Environment Setup
- 14:5014:50, 22 October 2019 diff hist +35 IOP Chester 2019 →Allocating Computing Nodes and Environment Setup
- 14:2614:26, 22 October 2019 diff hist −26 IOP Chester 2019 →Install sumo for post processing
- 13:5313:53, 22 October 2019 diff hist +69 IOP Chester 2019 →Tutorials
- 13:4413:44, 22 October 2019 diff hist +383 IOP Chester 2019 No edit summary
- 13:2413:24, 22 October 2019 diff hist +122 IOP Chester 2019 No edit summary
- 13:1913:19, 22 October 2019 diff hist +2,011 IOP Chester 2019 No edit summary
- 11:1211:12, 22 October 2019 diff hist −1 Chester 2019 →Allocating Computing Nodes and Environment Setup current
- 11:0911:09, 22 October 2019 diff hist −35 Chester 2019 No edit summary
- 10:5810:58, 22 October 2019 diff hist 0 Chester 2019 →Allocating Computing Nodes and Environment Setup
- 10:5710:57, 22 October 2019 diff hist +35 Chester 2019 →Allocating Computing Nodes and Environment Setup
- 10:5610:56, 22 October 2019 diff hist +1 Chester 2019 No edit summary
- 10:5210:52, 22 October 2019 diff hist +405 Chester 2019 No edit summary
- 10:4110:41, 22 October 2019 diff hist +308 Chester 2019 →Environment Setup
- 10:3110:31, 22 October 2019 diff hist +148 Chester 2019 →Environment Setup
- 10:2810:28, 22 October 2019 diff hist +2,531 N Chester 2019 Created page with "== Lectures == *[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Basics1.pdf DFT, PW, and PAW]: "VASP: The basics(1). DFT, plane waves, PAW, ...". *[http://www.vasp.a..."
23 September 2019
- 14:4614:46, 23 September 2019 diff hist +1 Sigma2 Oslo 2019 →Environment Setup current
- 13:2513:25, 23 September 2019 diff hist 0 Sigma2 Oslo 2019 →Environment Setup
- 13:2513:25, 23 September 2019 diff hist +486 Sigma2 Oslo 2019 No edit summary
- 13:1913:19, 23 September 2019 diff hist −1 Sigma2 Oslo 2019 →Tutorials
20 September 2019
- 10:3110:31, 20 September 2019 diff hist −12 Construction:A Ubuntu based installation of VASP →Linking to MKL
28 August 2019
- 13:2813:28, 28 August 2019 diff hist +117 Construction:A CentOS based installation of VASP No edit summary
- 13:2613:26, 28 August 2019 diff hist +131 Construction:A CentOS based installation of VASP No edit summary
- 13:2213:22, 28 August 2019 diff hist +153 Construction:A CentOS based installation of VASP No edit summary
- 13:1913:19, 28 August 2019 diff hist +108 Construction:A CentOS based installation of VASP No edit summary
- 13:1713:17, 28 August 2019 diff hist +4,850 N Construction:A CentOS based installation of VASP Created page with "The following guide was tested with CentOS 7 installed in virtualbox 5. Install following packages in CentOS: # yum install gcc-gfortran gcc-g++ lapack-devel fftw-devel op..."
26 August 2019
- 17:0317:03, 26 August 2019 diff hist 0 LSCAAWARE No edit summary
- 17:0217:02, 26 August 2019 diff hist +145 LSCAAWARE No edit summary
- 16:5116:51, 26 August 2019 diff hist −7 LSCAAWARE No edit summary
- 16:5016:50, 26 August 2019 diff hist −1 LSCAAWARE No edit summary
- 16:4916:49, 26 August 2019 diff hist −8 LSCAAWARE No edit summary
- 16:4816:48, 26 August 2019 diff hist +646 N LSCAAWARE Created page with "{{TAGDEF|LSCAAWAVE|[logical]}} {{DEF|LSCAAWARE|.TRUE.|if VASP is compiled with scaLAPACK support (precompiler flag -DscaLAPACK)|.FALSE.|otherwise}} Description: {{TAG|LSCAAWA..."
- 11:1011:10, 26 August 2019 diff hist +91 Construction:Linking gfortran with Intel MKL No edit summary
- 11:0411:04, 26 August 2019 diff hist −12 Makefile.include.linux intel cuda No edit summary current
- 11:0411:04, 26 August 2019 diff hist −12 Makefile.include.linux gfortran No edit summary current
- 11:0411:04, 26 August 2019 diff hist −12 Makefile.include.linux intel No edit summary
- 11:0411:04, 26 August 2019 diff hist −12 Construction:A Debian based installation of VASP No edit summary
- 11:0311:03, 26 August 2019 diff hist −12 Construction:A Ubuntu based installation of VASP No edit summary
- 11:0311:03, 26 August 2019 diff hist −12 Construction:A Fedora based installation of VASP No edit summary
- 11:0311:03, 26 August 2019 diff hist −12 Construction:Linking gfortran with Intel MKL No edit summary
- 10:5710:57, 26 August 2019 diff hist −1,373 Construction:Linking gfortran with Intel MKL No edit summary
23 August 2019
- 11:4111:41, 23 August 2019 diff hist −95 LSORBIT →Assumptions and output
- 11:4111:41, 23 August 2019 diff hist −1 LSORBIT →Assumptions and output
- 11:4111:41, 23 August 2019 diff hist +87 LSORBIT →Assumptions and output
- 11:3611:36, 23 August 2019 diff hist −5 LSORBIT →Assumptions and output
- 11:3311:33, 23 August 2019 diff hist −25 LSORBIT →Assumptions and output
- 11:3111:31, 23 August 2019 diff hist −1 LSORBIT →Assumptions and output
- 11:2911:29, 23 August 2019 diff hist +2,627 LSORBIT No edit summary
- 10:5010:50, 23 August 2019 diff hist +190 Template:Cite No edit summary
12 August 2019
- 16:0416:04, 12 August 2019 diff hist −13 LSUBROT No edit summary
- 16:0016:00, 12 August 2019 diff hist −14 NELMDL No edit summary
- 14:4714:47, 12 August 2019 diff hist +1 LSUBROT No edit summary
- 14:4614:46, 12 August 2019 diff hist +14 IALGO →Related Tags and Sections
- 14:0814:08, 12 August 2019 diff hist 0 IALGO →Direct optimization
- 13:0913:09, 12 August 2019 diff hist +1 MAXMEM →Related Tags and Sections
- 13:0913:09, 12 August 2019 diff hist +24 MAXMEM →Related Tags and Sections
- 13:0913:09, 12 August 2019 diff hist +52 NOMEGA No edit summary
- 13:0813:08, 12 August 2019 diff hist +146 NOMEGA No edit summary
- 13:0613:06, 12 August 2019 diff hist −29 NOMEGA No edit summary
- 13:0613:06, 12 August 2019 diff hist +29 NOMEGA No edit summary
- 13:0513:05, 12 August 2019 diff hist +18 NOMEGA No edit summary
- 13:0413:04, 12 August 2019 diff hist +33 MAXMEM No edit summary
- 13:0213:02, 12 August 2019 diff hist +212 MAXMEM No edit summary
- 12:5612:56, 12 August 2019 diff hist −1 Practical guide to GW calculations →Caveats
- 12:5612:56, 12 August 2019 diff hist −23 Practical guide to GW calculations →Low scaling GW algorithms
- 12:5212:52, 12 August 2019 diff hist −2,369 ACFDT/RPA calculations →Memory bottleneck and Parallelization
- 12:4312:43, 12 August 2019 diff hist −143 ACFDT/RPA calculations →Memory bottleneck and Parallelization
- 12:3812:38, 12 August 2019 diff hist −296 ACFDT/RPA calculations →Memory bottleneck and Parallelization
- 12:3712:37, 12 August 2019 diff hist −30 ACFDT/RPA calculations →Storage requirements
- 12:3712:37, 12 August 2019 diff hist +14 ACFDT/RPA calculations →Note on Parallelization
- 12:3712:37, 12 August 2019 diff hist +56 ACFDT/RPA calculations →Note on Parallelization
- 12:3312:33, 12 August 2019 diff hist +17 Practical guide to GW calculations →Related Tags and Sections
- 12:3212:32, 12 August 2019 diff hist +18 ACFDT/RPA calculations No edit summary
- 12:3212:32, 12 August 2019 diff hist +69 ACFDT/RPA calculations →Related Tags and Sections
- 12:3112:31, 12 August 2019 diff hist +35 ACFDT/RPA calculations No edit summary
- 12:2912:29, 12 August 2019 diff hist −27 ACFDT/RPA calculations →Some Issues Particular to ACFDT-RPA Calculations on Metals
- 12:2812:28, 12 August 2019 diff hist −8 ACFDT/RPA calculations →Some Issues Particular to ACFDT-RPA Calculations on Metals
- 12:2812:28, 12 August 2019 diff hist +794 ACFDT/RPA calculations →Storage requirements
- 11:3411:34, 12 August 2019 diff hist −118 Practical guide to GW calculations →Optional: Use Hybrid functionals
- 11:3211:32, 12 August 2019 diff hist +28 Practical guide to GW calculations →Optional: Use Hybrid functionals
- 11:2811:28, 12 August 2019 diff hist +150 NTAUPAR No edit summary
- 11:2411:24, 12 August 2019 diff hist +22 MAXMEM No edit summary
- 11:2211:22, 12 August 2019 diff hist +293 MAXMEM No edit summary
6 August 2019
- 16:1416:14, 6 August 2019 diff hist +2 MAXMEM No edit summary
- 16:1016:10, 6 August 2019 diff hist +8 MAXMEM No edit summary
2 August 2019
- 10:2310:23, 2 August 2019 diff hist +1,498 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 10:2310:23, 2 August 2019 diff hist −1,482 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 10:2110:21, 2 August 2019 diff hist −1 ACFDT/RPA calculations No edit summary
- 10:2110:21, 2 August 2019 diff hist +40 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 10:2010:20, 2 August 2019 diff hist +34 ACFDT/RPA calculations →Possible tests and known issues
- 10:1910:19, 2 August 2019 diff hist +1,442 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 10:0910:09, 2 August 2019 diff hist −2 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 10:0810:08, 2 August 2019 diff hist +14 Low-scaling GW: The space-time formalism →Theory
- 10:0810:08, 2 August 2019 diff hist −1 Low-scaling GW: The space-time formalism →Theory
- 10:0710:07, 2 August 2019 diff hist −33 Low-scaling GW: The space-time formalism →Theory
- 10:0510:05, 2 August 2019 diff hist 0 RPA/ACFDT: Correlation energy in the Random Phase Approximation →The Random Phase Approximation
- 10:0410:04, 2 August 2019 diff hist −1 RPA/ACFDT: Correlation energy in the Random Phase Approximation →The Random Phase Approximation
- 10:0410:04, 2 August 2019 diff hist 0 ACFDT/RPA calculations No edit summary
- 10:0310:03, 2 August 2019 diff hist 0 ACFDT/RPA calculations No edit summary
- 10:0210:02, 2 August 2019 diff hist −178 ACFDT/RPA calculations No edit summary
- 10:0210:02, 2 August 2019 diff hist +185 Template:Cite No edit summary
- 10:0010:00, 2 August 2019 diff hist −322 ACFDT/RPA calculations No edit summary
- 09:5509:55, 2 August 2019 diff hist −162 ACFDT/RPA calculations →References
- 09:5509:55, 2 August 2019 diff hist +10 ACFDT/RPA calculations →Low scaling ACFDT/RPA algorithm
- 09:5209:52, 2 August 2019 diff hist +123 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 09:5109:51, 2 August 2019 diff hist +10 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 09:5109:51, 2 August 2019 diff hist +216 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
31 July 2019
- 12:1512:15, 31 July 2019 diff hist −1 ACFDT/RPA calculations →Basis set convergence
- 12:1512:15, 31 July 2019 diff hist −98 Basis set convergence of RPA-ACFDT calculations No edit summary
- 12:1412:14, 31 July 2019 diff hist −30 ACFDT/RPA calculations No edit summary
30 July 2019
- 09:5909:59, 30 July 2019 diff hist −57 Harris-Foulkes functional No edit summary
29 July 2019
- 17:3317:33, 29 July 2019 diff hist +9 The VASP Manual →Featured topics
- 17:1617:16, 29 July 2019 diff hist −5 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Cubic scaling RPA: Contraction of imaginary time Green's functions
- 17:1417:14, 29 July 2019 diff hist +6 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Technical aspects
- 17:1417:14, 29 July 2019 diff hist +1,436 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Technical aspects
- 17:0317:03, 29 July 2019 diff hist +396 Template:Cite No edit summary
- 16:5316:53, 29 July 2019 diff hist +2 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Technical aspects
- 16:5216:52, 29 July 2019 diff hist +1,151 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Technical aspects
- 16:4616:46, 29 July 2019 diff hist +307 Template:Cite No edit summary
- 16:4116:41, 29 July 2019 diff hist −4 Basis set convergence of RPA-ACFDT calculations No edit summary
- 16:4016:40, 29 July 2019 diff hist +12 Basis set convergence of RPA-ACFDT calculations No edit summary
- 16:4016:40, 29 July 2019 diff hist −6 Basis set convergence of RPA-ACFDT calculations No edit summary
- 16:2416:24, 29 July 2019 diff hist +1 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Technical aspects
- 16:2316:23, 29 July 2019 diff hist −5 Basis set convergence of RPA-ACFDT calculations No edit summary
- 16:2116:21, 29 July 2019 diff hist +52 RPA/ACFDT: Correlation energy in the Random Phase Approximation No edit summary
- 16:1916:19, 29 July 2019 diff hist +127 Category:Low-scaling GW and RPA →How to
- 16:1616:16, 29 July 2019 diff hist +90 Category:Low-scaling GW and RPA →Theoretical Background
- 16:1316:13, 29 July 2019 diff hist +251 Category:Low-scaling GW and RPA →Theoretical Background
- 16:1016:10, 29 July 2019 diff hist +4 ACFDT/RPA calculations →Technical aspects
- 16:1016:10, 29 July 2019 diff hist 0 ACFDT/RPA calculations No edit summary
- 16:0916:09, 29 July 2019 diff hist +3,138 N Basis set convergence of RPA-ACFDT calculations Created page with "To reach technical convergence, a number of flags are available to control the evaluation of the ACFDT-RPA correlation energy in the fourth step. The expression for the ACFDT-..."
- 16:0816:08, 29 July 2019 diff hist +4 ACFDT/RPA calculations →Technical aspects
- 16:0616:06, 29 July 2019 diff hist −99 ACFDT/RPA calculations →Storage requirements
- 16:0616:06, 29 July 2019 diff hist +707 ACFDT/RPA calculations →Low scaling ACFDT/RPA algorithm
- 16:0516:05, 29 July 2019 diff hist −708 ACFDT/RPA calculations →Possible tests and known issues
- 16:0416:04, 29 July 2019 diff hist −2 ACFDT/RPA calculations →Technical aspects
- 16:0016:00, 29 July 2019 diff hist −19 Template:Cite No edit summary
- 15:5915:59, 29 July 2019 diff hist +187 Template:Cite No edit summary
- 15:5715:57, 29 July 2019 diff hist +398 Template:Cite No edit summary
- 15:5615:56, 29 July 2019 diff hist −485 ACFDT/RPA calculations →References
- 15:5115:51, 29 July 2019 diff hist −3,009 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 15:4515:45, 29 July 2019 diff hist +3 ACFDT/RPA calculations →General Recipe to Calculate ACFDT-RPA Total Energies
- 15:4415:44, 29 July 2019 diff hist +132 ACFDT/RPA calculations No edit summary
- 15:3615:36, 29 July 2019 diff hist +342 RPA/ACFDT: Correlation energy in the Random Phase Approximation No edit summary
- 15:3615:36, 29 July 2019 diff hist +174 Template:Cite No edit summary
- 15:2715:27, 29 July 2019 diff hist +64 Category:ACFDT →How to
- 15:2515:25, 29 July 2019 diff hist +2 Category:ACFDT →Theory
- 15:2515:25, 29 July 2019 diff hist +593 Category:ACFDT →Theory
- 15:1915:19, 29 July 2019 diff hist +296 RPA/ACFDT: Correlation energy in the Random Phase Approximation No edit summary
- 14:5414:54, 29 July 2019 diff hist +26 RPA/ACFDT: Correlation energy in the Random Phase Approximation →The Random Phase Approximation
- 14:4314:43, 29 July 2019 diff hist +376 RPA/ACFDT: Correlation energy in the Random Phase Approximation →The Random Phase Approximation
- 14:1214:12, 29 July 2019 diff hist +1,058 RPA/ACFDT: Correlation energy in the Random Phase Approximation No edit summary
- 13:3113:31, 29 July 2019 diff hist +141 N File:Chi.png The independent particle polarizability can be written as product of two non-interacting Green's function propagating in opposite directions. current
- 13:2513:25, 29 July 2019 diff hist +104 Template:Cite No edit summary
- 13:2413:24, 29 July 2019 diff hist +13 Template:Cite No edit summary
- 13:2313:23, 29 July 2019 diff hist 0 Template:Cite No edit summary
- 13:1213:12, 29 July 2019 diff hist +30 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Gell-Mann and Low theorem
- 12:0212:02, 29 July 2019 diff hist +1,363 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Diagrammatic approach to the correlation energy
- 11:4011:40, 29 July 2019 diff hist +18 N File:DMP2.png direct MP2 diagram current
26 July 2019
- 17:0517:05, 26 July 2019 diff hist +1 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Diagrammatic approach to the correlation energy
- 17:0517:05, 26 July 2019 diff hist −8 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Diagrammatic approach to the correlation energy
- 17:0217:02, 26 July 2019 diff hist +1 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Diagrammatic approach to the correlation energy
- 17:0117:01, 26 July 2019 diff hist +8 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Diagrammatic approach to the correlation energy
- 17:0017:00, 26 July 2019 diff hist +16 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Diagrammatic approach to the correlation energy
- 17:0017:00, 26 July 2019 diff hist −1 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Diagrammatic approach to the correlation energy
- 16:5916:59, 26 July 2019 diff hist −1 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Diagrammatic approach to the correlation energy
- 16:5916:59, 26 July 2019 diff hist −13 Template:Cite No edit summary
- 16:5816:58, 26 July 2019 diff hist +1,781 RPA/ACFDT: Correlation energy in the Random Phase Approximation No edit summary
- 16:4516:45, 26 July 2019 diff hist 0 Template:Cite No edit summary
- 16:4516:45, 26 July 2019 diff hist +105 Template:Cite No edit summary
- 16:1816:18, 26 July 2019 diff hist +152 Template:Cite No edit summary
- 14:4214:42, 26 July 2019 diff hist +2 Template:Cite No edit summary
- 14:3814:38, 26 July 2019 diff hist +153 Template:Cite No edit summary
- 13:5513:55, 26 July 2019 diff hist −504 RPA/ACFDT: Correlation energy in the Random Phase Approximation No edit summary
- 13:5513:55, 26 July 2019 diff hist +4,075 RPA/ACFDT: Correlation energy in the Random Phase Approximation →Diagrammatic approach to the correlation energy
- 11:3911:39, 26 July 2019 diff hist +228 Template:Cite No edit summary
- 11:1511:15, 26 July 2019 diff hist +170 Template:Cite No edit summary
- 11:0811:08, 26 July 2019 diff hist +162 Template:Cite No edit summary
- 11:0311:03, 26 July 2019 diff hist −1 Template:Cite No edit summary
- 11:0011:00, 26 July 2019 diff hist +159 Template:Cite No edit summary
- 10:4510:45, 26 July 2019 diff hist +1 Template:Cite No edit summary
- 10:4510:45, 26 July 2019 diff hist +175 Template:Cite No edit summary
- 10:2210:22, 26 July 2019 diff hist +5 Template:Cite No edit summary
- 10:1910:19, 26 July 2019 diff hist +155 Template:Cite No edit summary
- 09:5009:50, 26 July 2019 diff hist +24 Low-scaling GW: The space-time formalism →Theory
25 July 2019
- 15:5315:53, 25 July 2019 diff hist +7 Low-scaling GW: The space-time formalism No edit summary
- 15:5215:52, 25 July 2019 diff hist +11 Low-scaling GW: The space-time formalism No edit summary
- 15:5115:51, 25 July 2019 diff hist +212 N RPA/ACFDT: Correlation energy in the Random Phase Approximation Created page with "__TOC__ == Diagrammatic approach to the correlation energy == == References == <references/> Category:TheoryCategory:VASP6Category:Low-scaling GW and RPA Cat..."
- 15:5015:50, 25 July 2019 diff hist +77 N Groundstate in the Random Phase Approximation Kaltakm moved page Groundstate in the Random Phase Approximation to RPA/ACFDT: Correlation energy in the Random Phase Approximation current
- 15:4315:43, 25 July 2019 diff hist +73 Low-scaling GW: The space-time formalism No edit summary
- 15:4215:42, 25 July 2019 diff hist +60 Low-scaling GW: The space-time formalism No edit summary
- 15:3815:38, 25 July 2019 diff hist +19 Low-scaling GW: The space-time formalism No edit summary
- 15:3215:32, 25 July 2019 diff hist +20 Category:Low-scaling GW and RPA No edit summary
- 15:3015:30, 25 July 2019 diff hist +1 Category:Low-scaling GW and RPA →How to
- 14:4814:48, 25 July 2019 diff hist +30 Category:Low-scaling GW and RPA →Theoretical Background
- 14:4814:48, 25 July 2019 diff hist +6 Category:Low-scaling GW and RPA →Theoretical Background
- 14:4614:46, 25 July 2019 diff hist −15 Category:Low-scaling GW and RPA →Theoretical Background
- 14:4114:41, 25 July 2019 diff hist −2 Construction:Wiki style guide No edit summary
- 14:4114:41, 25 July 2019 diff hist +1 Construction:Wiki style guide No edit summary
- 14:4014:40, 25 July 2019 diff hist +141 Construction:Wiki style guide No edit summary
- 13:1713:17, 25 July 2019 diff hist −1,105 Category:Low-scaling GW and RPA →Theoretical Background
- 11:4511:45, 25 July 2019 diff hist +1 Category:Low-scaling GW and RPA →How to
- 11:4111:41, 25 July 2019 diff hist 0 Low-scaling GW: The space-time formalism No edit summary
- 11:3811:38, 25 July 2019 diff hist +53 NOMEGAPAR No edit summary
- 11:3811:38, 25 July 2019 diff hist +53 NTAUPAR No edit summary
- 11:3711:37, 25 July 2019 diff hist +111 Category:Low-scaling GW and RPA →How to
- 11:3611:36, 25 July 2019 diff hist +117 Category:Low-scaling GW and RPA →Theoretical Background
- 11:3011:30, 25 July 2019 diff hist +17 Category:Low-scaling GW and RPA →Theoretical Background
- 11:2911:29, 25 July 2019 diff hist +1,538 Category:Low-scaling GW and RPA →Theoretical Background
- 11:0411:04, 25 July 2019 diff hist −46 Category:Low-scaling GW and RPA No edit summary
- 11:0311:03, 25 July 2019 diff hist +69 Category:Low-scaling GW and RPA →Theoretical Background
- 11:0111:01, 25 July 2019 diff hist −1 Low-scaling GW: The space-time formalism No edit summary
- 10:5910:59, 25 July 2019 diff hist −4,379 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 10:5910:59, 25 July 2019 diff hist +25 Low-scaling GW: The space-time formalism No edit summary
- 10:5810:58, 25 July 2019 diff hist +1 Low-scaling GW: The space-time formalism No edit summary
- 10:5810:58, 25 July 2019 diff hist +23 Low-scaling GW: The space-time formalism No edit summary
- 10:5510:55, 25 July 2019 diff hist +6,278 N Low-scaling GW: The space-time formalism Created page with "__TOC__ Available as of VASP.6 are low scaling algorithms for ACFDT/RPA<ref name="kaltak2"/> and GW calculations.<ref name="liu"/> A theoretical description of the ACFDT/RPA..."
- 10:5310:53, 25 July 2019 diff hist +82 Category:GW No edit summary
- 10:4910:49, 25 July 2019 diff hist +4 NOMEGAPAR No edit summary
- 10:4910:49, 25 July 2019 diff hist +37 NTAUPAR No edit summary
- 10:4710:47, 25 July 2019 diff hist 0 NOMEGAPAR No edit summary
- 10:4710:47, 25 July 2019 diff hist +33 NOMEGAPAR No edit summary
- 10:4510:45, 25 July 2019 diff hist −16 NOMEGAPAR No edit summary
- 10:4410:44, 25 July 2019 diff hist −53 NOMEGAPAR No edit summary
- 10:4410:44, 25 July 2019 diff hist −73 NTAUPAR No edit summary
- 10:4310:43, 25 July 2019 diff hist −87 Category:ACFDT →How to
- 09:0809:08, 25 July 2019 diff hist −18 Practical guide to GW calculations No edit summary
- 09:0809:08, 25 July 2019 diff hist +18 Practical guide to GW calculations No edit summary
- 09:0709:07, 25 July 2019 diff hist +35 CRPA of SrVO3 No edit summary
- 09:0609:06, 25 July 2019 diff hist +53 Practical guide to GW calculations No edit summary
- 09:0509:05, 25 July 2019 diff hist +35 Practical guide to GW calculations No edit summary
- 09:0409:04, 25 July 2019 diff hist +35 GW approximation of Hedin's equations No edit summary
- 09:0209:02, 25 July 2019 diff hist +265 N Category:Low-scaling GW and RPA Created page with "All tags and articles concerning low scaling GW and RPA algorithms available as of VASP.6 and newer. == Theoretical Background == == How to == ---- ACFDT..."
24 July 2019
- 17:0917:09, 24 July 2019 diff hist +53 N Talk:GW calculations Kaltakm moved page Talk:GW calculations to Talk:Practical guide to GW calculations current
- 17:0917:09, 24 July 2019 diff hist 0 m Talk:Practical guide to GW calculations Kaltakm moved page Talk:GW calculations to Talk:Practical guide to GW calculations current
- 17:0917:09, 24 July 2019 diff hist +48 N GW calculations Kaltakm moved page GW calculations to Practical guide to GW calculations current
- 17:0917:09, 24 July 2019 diff hist 0 m Practical guide to GW calculations Kaltakm moved page GW calculations to Practical guide to GW calculations
- 17:0817:08, 24 July 2019 diff hist +18 Practical guide to GW calculations No edit summary
- 17:0117:01, 24 July 2019 diff hist +26 GW approximation of Hedin's equations No edit summary
- 16:5616:56, 24 July 2019 diff hist +51 N The GW approximation of Hedin's equations Kaltakm moved page The GW approximation of Hedin's equations to GW approximation of Hedin's equations current
- 16:5616:56, 24 July 2019 diff hist 0 m GW approximation of Hedin's equations Kaltakm moved page The GW approximation of Hedin's equations to GW approximation of Hedin's equations
- 16:5516:55, 24 July 2019 diff hist +118 Practical guide to GW calculations →Self-consistent EVGW and QPGW calculations
- 16:5416:54, 24 July 2019 diff hist +117 Practical guide to GW calculations →Low scaling, fully self-consistent quasi-particle calculations: QPGWR
- 16:5416:54, 24 July 2019 diff hist +17 Practical guide to GW calculations →Fully self-consistent GW caluclations: GWR or scGWR
- 16:5116:51, 24 July 2019 diff hist +99 Practical guide to GW calculations →Fully self-consistent GW caluclations: GWR or scGWR
- 16:4916:49, 24 July 2019 diff hist +1,340 GW approximation of Hedin's equations No edit summary
- 16:4716:47, 24 July 2019 diff hist −1,282 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 16:4616:46, 24 July 2019 diff hist +7 Practical guide to GW calculations →Fully self-consistent GW caluclations: scGWR
- 16:4616:46, 24 July 2019 diff hist +10 Practical guide to GW calculations →Partially self-consistent GW caluclations: GW0R
- 16:4316:43, 24 July 2019 diff hist +29 Practical guide to GW calculations →Fully self-consistent GW caluclations: scGWR
- 16:4216:42, 24 July 2019 diff hist +27 Practical guide to GW calculations →Partially self-consistent GW caluclations: scGW0R
- 16:4116:41, 24 July 2019 diff hist −15 Practical guide to GW calculations →Partially self-consistent GW caluclations: scGW0R
- 15:5615:56, 24 July 2019 diff hist +27 Practical guide to GW calculations No edit summary
- 15:5415:54, 24 July 2019 diff hist −2,127 Practical guide to GW calculations →Low scaling GW algorithms
- 15:4915:49, 24 July 2019 diff hist −30 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 15:4815:48, 24 July 2019 diff hist +46 GW approximation of Hedin's equations No edit summary
- 15:4715:47, 24 July 2019 diff hist −27 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 15:4715:47, 24 July 2019 diff hist +1,441 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 15:1915:19, 24 July 2019 diff hist +1,125 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 14:5014:50, 24 July 2019 diff hist +1 GW approximation of Hedin's equations →References
- 14:4914:49, 24 July 2019 diff hist +183 GW approximation of Hedin's equations →References
- 14:4614:46, 24 July 2019 diff hist +106 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 14:4214:42, 24 July 2019 diff hist +235 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 14:3914:39, 24 July 2019 diff hist +2 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 14:3414:34, 24 July 2019 diff hist +17 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 14:3214:32, 24 July 2019 diff hist +341 GW approximation of Hedin's equations →References
- 14:3114:31, 24 July 2019 diff hist −2 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 14:3014:30, 24 July 2019 diff hist 0 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 14:3014:30, 24 July 2019 diff hist +2,609 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 14:1914:19, 24 July 2019 diff hist +784 GW approximation of Hedin's equations →Self-consistent Quasi-particle approximation: scQPGW0
- 13:5413:54, 24 July 2019 diff hist +554 GW approximation of Hedin's equations No edit summary
- 13:3113:31, 24 July 2019 diff hist +436 GW approximation of Hedin's equations →Self-consistent Quasi-particle approximation: scQPGW0
- 11:5611:56, 24 July 2019 diff hist +4,856 GW approximation of Hedin's equations No edit summary
- 10:1310:13, 24 July 2019 diff hist +1,088 GW approximation of Hedin's equations No edit summary
- 09:4509:45, 24 July 2019 diff hist +2 GW approximation of Hedin's equations →Green's functions
- 09:4509:45, 24 July 2019 diff hist +41 GW approximation of Hedin's equations →Green's functions
23 July 2019
- 17:5417:54, 23 July 2019 diff hist +19 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 17:5317:53, 23 July 2019 diff hist +167 GW approximation of Hedin's equations →References
- 17:5317:53, 23 July 2019 diff hist +184 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 17:5017:50, 23 July 2019 diff hist +20 GW approximation of Hedin's equations →Partially self-consistent: GW0
- 17:4917:49, 23 July 2019 diff hist +5 Practical guide to GW calculations No edit summary
- 17:4517:45, 23 July 2019 diff hist −86 GW approximation of Hedin's equations →Low-scaling GW: The Space-time Formalism
- 17:4517:45, 23 July 2019 diff hist +86 GW approximation of Hedin's equations No edit summary
- 17:4217:42, 23 July 2019 diff hist +67 GW approximation of Hedin's equations No edit summary
- 17:4217:42, 23 July 2019 diff hist −19 Practical guide to GW calculations No edit summary
- 17:4117:41, 23 July 2019 diff hist +275 GW approximation of Hedin's equations No edit summary
- 17:3417:34, 23 July 2019 diff hist −3,696 Practical guide to GW calculations No edit summary
- 17:2717:27, 23 July 2019 diff hist −20 GW approximation of Hedin's equations No edit summary
- 17:2617:26, 23 July 2019 diff hist +4,898 N GW approximation of Hedin's equations Created page with "= The GW approximation of Hedin's equations = The GW method can be understood in terms of the following eigenvalue equation<ref name="HybertsenLouie"/> <span id="EVGW"> <math..."
- 16:2116:21, 23 July 2019 diff hist +19 Practical guide to GW calculations No edit summary
- 16:2016:20, 23 July 2019 diff hist −87 ACFDT/RPA calculations No edit summary
- 16:0716:07, 23 July 2019 diff hist +87 ACFDT/RPA calculations No edit summary
19 July 2019
- 16:1816:18, 19 July 2019 diff hist +23 DOSCAR No edit summary
- 15:4715:47, 19 July 2019 diff hist 0 DOSCAR No edit summary
2 July 2019
- 13:5013:50, 2 July 2019 diff hist +109 LCALCEPS No edit summary
- 10:1310:13, 2 July 2019 diff hist +96 ELFCAR No edit summary
- 10:1110:11, 2 July 2019 diff hist −1 ELFCAR No edit summary
- 10:1110:11, 2 July 2019 diff hist +590 ELFCAR No edit summary
26 June 2019
- 14:3114:31, 26 June 2019 diff hist +286 ICAMM Rennes 2019 HOWTO No edit summary
- 12:1112:11, 26 June 2019 diff hist +121 ICAMM Rennes 2019 HOWTO No edit summary
24 June 2019
- 17:1217:12, 24 June 2019 diff hist −6 LHYPERFINE →Units
- 17:1117:11, 24 June 2019 diff hist +169 LHYPERFINE →Units
- 17:0917:09, 24 June 2019 diff hist +14 LHYPERFINE →Units
- 17:0817:08, 24 June 2019 diff hist +436 LHYPERFINE No edit summary
- 16:1316:13, 24 June 2019 diff hist +159 Bandstructure of SrVO3 in GW →DFT groundstate calculation
- 16:0916:09, 24 June 2019 diff hist −36 Bandstructure of SrVO3 in GW →Task
- 16:0816:08, 24 June 2019 diff hist +1 Bandstructure of SrVO3 in GW →Task
- 16:0816:08, 24 June 2019 diff hist +36 Bandstructure of SrVO3 in GW →Task
- 16:0716:07, 24 June 2019 diff hist +31 N File:SrVO3 structure.png SrVO3 structure (perfect cubic) current
- 15:5515:55, 24 June 2019 diff hist +41 Bandstructure of SrVO3 in GW →Density of States
- 15:5115:51, 24 June 2019 diff hist +62 N File:DOS SrVO3 comparison.png Comparison of density of states of SrVO3 for PBE, HSE and GW0. current
- 13:0913:09, 24 June 2019 diff hist +180 ACFDT/RPA calculations →Storage requirements
- 11:5711:57, 24 June 2019 diff hist +5 ACFDT/RPA calculations →Required memory
- 11:5711:57, 24 June 2019 diff hist +553 ACFDT/RPA calculations No edit summary
- 11:4211:42, 24 June 2019 diff hist −1,002 ACFDT/RPA calculations No edit summary
11 June 2019
- 12:0312:03, 11 June 2019 diff hist +2 Equilibrium volume of Si in the RPA →Step 5
- 11:0411:04, 11 June 2019 diff hist −41 Bandgap of Si in GW →Task
2 April 2019
- 22:4822:48, 2 April 2019 diff hist −147 Construction:Linking gfortran with Intel MKL No edit summary
1 April 2019
- 10:2210:22, 1 April 2019 diff hist +41 LHYPERFINE No edit summary
13 March 2019
- 11:0711:07, 13 March 2019 diff hist +2,277 PROCAR No edit summary
- 10:4310:43, 13 March 2019 diff hist +1,602 PROCAR No edit summary
4 March 2019
- 13:3013:30, 4 March 2019 diff hist −1 LWRITE UNK No edit summary
- 13:3013:30, 4 March 2019 diff hist −10 LWRITE UNK No edit summary
- 13:3013:30, 4 March 2019 diff hist −2 LWRITE UNK No edit summary
- 13:2813:28, 4 March 2019 diff hist +1,060 N LWRITE UNK Created page with "{{TAGDEF|LWRITE_UNK|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LWRITE_UNK}} decides whether the cell-periodic part of the relevant Bloch functions is written. ---- For..."
5 February 2019
- 12:2012:20, 5 February 2019 diff hist +825 N HFRCUT Created page with "{{TAGDEF|HFRCUT|[real]|0}} Description: {{TAG|HFRCUT}} specifies the spherical cutoff radius for the potential kernel in Hartree-Fock_and_HF/DFT_hybrid_functionals|hybrid f..."
8 January 2019
- 17:0217:02, 8 January 2019 diff hist +1 LORBIT →Remark:
- 17:0217:02, 8 January 2019 diff hist +2 LORBIT →Remark:
- 17:0117:01, 8 January 2019 diff hist −6 LORBIT →Remark:
- 17:0117:01, 8 January 2019 diff hist +545 LORBIT →Remark:
- 16:5316:53, 8 January 2019 diff hist +624 LORBIT →Remark:
- 16:3716:37, 8 January 2019 diff hist +2,004 LORBIT →Remark:
7 January 2019
- 14:4214:42, 7 January 2019 diff hist +54 CHGCAR No edit summary
- 14:3614:36, 7 January 2019 diff hist 0 CHGCAR No edit summary
- 10:4310:43, 7 January 2019 diff hist +140 CHGCAR No edit summary
- 10:3510:35, 7 January 2019 diff hist +155 CHGCAR No edit summary
18 December 2018
- 09:3909:39, 18 December 2018 diff hist +97 Construction:Linking gfortran with Intel MKL No edit summary
17 December 2018
- 09:5909:59, 17 December 2018 diff hist +97 LPEAD No edit summary
14 December 2018
28 November 2018
- 16:1516:15, 28 November 2018 diff hist +26 EFIELD No edit summary
22 November 2018
- 15:3515:35, 22 November 2018 diff hist +82 LCALCEPS No edit summary
15 November 2018
- 18:0618:06, 15 November 2018 diff hist +51 Construction:A Fedora based installation of VASP No edit summary
19 September 2018
- 09:0709:07, 19 September 2018 diff hist +73 ISYM No edit summary
17 September 2018
- 09:2509:25, 17 September 2018 diff hist +100 CRPA of SrVO3 No edit summary
13 August 2018
- 09:1409:14, 13 August 2018 diff hist 0 Construction:Linking gfortran with Intel MKL No edit summary
- 09:1309:13, 13 August 2018 diff hist +84 Construction:Linking gfortran with Intel MKL No edit summary
- 08:5708:57, 13 August 2018 diff hist +43 Construction:Linking gfortran with Intel MKL No edit summary
- 08:5508:55, 13 August 2018 diff hist +69 Construction:Linking gfortran with Intel MKL No edit summary
- 08:5308:53, 13 August 2018 diff hist +1,451 Construction:Linking gfortran with Intel MKL No edit summary
8 August 2018
- 11:2411:24, 8 August 2018 diff hist −1 The VASP Manual →Installation and validation
- 11:2211:22, 8 August 2018 diff hist −79 Construction:A Ubuntu based installation of VASP →Linking to MKL
- 11:2011:20, 8 August 2018 diff hist +1,711 Construction:A Ubuntu based installation of VASP No edit summary
- 10:1410:14, 8 August 2018 diff hist +1 Construction:Linking gfortran with Intel MKL No edit summary
- 10:1310:13, 8 August 2018 diff hist +2,429 N Construction:Linking gfortran with Intel MKL Created page with "To improve on the execution time VASP can be build with the GNU compiler suite in combination with Intel's Math Kernel Library [https://software.intel.com/en-us/mkl|MKL]. Thi..."
7 August 2018
- 14:2314:23, 7 August 2018 diff hist −1 Construction:A Fedora based installation of VASP No edit summary
- 14:2214:22, 7 August 2018 diff hist −1 Construction:A Ubuntu based installation of VASP No edit summary
- 14:2114:21, 7 August 2018 diff hist −1 Construction:A Debian based installation of VASP No edit summary
- 13:1713:17, 7 August 2018 diff hist +95 LOPTICS No edit summary
24 July 2018
- 12:1512:15, 24 July 2018 diff hist +3,536 N Energy vs volume Volume relaxations and Pulay stress Created page with "If you are doing energy-volume calculations or cell shape and volume relaxations you must understand the Pulay stress, and related problems. The Pulay stress arises from the..."
13 July 2018
- 08:4608:46, 13 July 2018 diff hist −7 MAGMOM No edit summary
10 July 2018
- 09:1109:11, 10 July 2018 diff hist −224 CRPA of SrVO3 →CRPA Calculation
- 09:0309:03, 10 July 2018 diff hist −140 CRPA of SrVO3 →Obtain DFT virtual orbitals and long-wave limit
- 09:0309:03, 10 July 2018 diff hist −100 CRPA of SrVO3 →DFT groundstate calculation
- 09:0109:01, 10 July 2018 diff hist −6 CRPA of SrVO3 →DFT groundstate calculation
- 09:0009:00, 10 July 2018 diff hist −80 CRPA of SrVO3 →Task
9 July 2018
- 16:1316:13, 9 July 2018 diff hist −1 Bandstructure of SrVO3 in GW →Download
- 16:1316:13, 9 July 2018 diff hist +97 Bandstructure of SrVO3 in GW No edit summary
- 16:1016:10, 9 July 2018 diff hist −284 Bandstructure of SrVO3 in GW →GW Step
- 16:1016:10, 9 July 2018 diff hist −154 Bandstructure of SrVO3 in GW →The dielectric function
- 15:4515:45, 9 July 2018 diff hist +80 CRPA of SrVO3 →Downloads
- 15:4415:44, 9 July 2018 diff hist +19 CRPA of SrVO3 No edit summary
- 15:3715:37, 9 July 2018 diff hist +395 N VCUTOFF Created page with "{{TAGDEF|VCUTOFF|[real] energy cutoff for bare Coulomb matrix elements| 1.1 {{TAG|ENCUTGW}}}} Description: The parameter {{TAG|VCUTOFF}} controls the basis set for the bare..."
- 15:3315:33, 9 July 2018 diff hist −167 CRPA of SrVO3 →CRPA Calculation
- 15:2615:26, 9 July 2018 diff hist +199 CRPA of SrVO3 →CRPA Calculation
- 15:2215:22, 9 July 2018 diff hist +911 CRPA of SrVO3 →CRPA Calculation
- 14:4914:49, 9 July 2018 diff hist −878 CRPA of SrVO3 →CRPA calculation with spacetime Algorithm
- 14:4914:49, 9 July 2018 diff hist +741 CRPA of SrVO3 →CRPA calculation with spacetime Algorithm
- 14:4514:45, 9 July 2018 diff hist +3 CRPA of SrVO3 →CRPA calculation with spacetime Algorithm
- 14:4414:44, 9 July 2018 diff hist +578 CRPA of SrVO3 →CRPA Calculation
- 14:4214:42, 9 July 2018 diff hist +317 CRPA of SrVO3 →CRPA Calculation
- 14:3514:35, 9 July 2018 diff hist −8 CRPA of SrVO3 →CRPA calculation on full imaginary frequency axis
- 14:3414:34, 9 July 2018 diff hist +8 CRPA of SrVO3 →CRPA calculation on full imaginary frequency axis
- 14:3314:33, 9 July 2018 diff hist +11 CRPA of SrVO3 →CRPA calculation on full imaginary frequency axis
- 14:3314:33, 9 July 2018 diff hist +9 CRPA of SrVO3 →CRPA calculation on full imaginary frequency axis (optional)
- 14:2814:28, 9 July 2018 diff hist +4 CRPA of SrVO3 →CRPA calculation on full imaginary frequency axis (optional)
- 14:2714:27, 9 July 2018 diff hist −1,063 CRPA of SrVO3 →CRPA calculation on full imaginary frequency axis (optional)
- 14:2314:23, 9 July 2018 diff hist +925 CRPA of SrVO3 →CRPA calculation on full imaginary frequency axis (optional)
- 14:1514:15, 9 July 2018 diff hist +150 CRPA of SrVO3 →CRPA calculation on full imaginary frequency axis (optional)
- 14:0114:01, 9 July 2018 diff hist −98 CRPA of SrVO3 →DFT groundstate calculation
- 13:5113:51, 9 July 2018 diff hist +85 CRPA of SrVO3 →CRPA Calculation
- 13:4613:46, 9 July 2018 diff hist +15 CRPA of SrVO3 →Task
- 12:5812:58, 9 July 2018 diff hist −4 CRPA of SrVO3 →CRPA Calculation
- 12:5712:57, 9 July 2018 diff hist +83 OMEGAMAX No edit summary
- 12:5612:56, 9 July 2018 diff hist +489 CRPA of SrVO3 →CRPA Calculation
- 12:4512:45, 9 July 2018 diff hist +4 CRPA of SrVO3 →Task
- 12:4512:45, 9 July 2018 diff hist +39 CRPA of SrVO3 →Task
- 12:4412:44, 9 July 2018 diff hist −36 GW and ACFDT - Tutorial No edit summary
- 12:4412:44, 9 July 2018 diff hist +1,278 Bandstructure of SrVO3 in GW No edit summary
- 12:4212:42, 9 July 2018 diff hist −4,073 Bandstructure and CRPA of SrVO3 No edit summary
- 12:3912:39, 9 July 2018 diff hist +1 NCRPA BANDS No edit summary
- 12:3912:39, 9 July 2018 diff hist 0 NCRPA BANDS No edit summary
- 12:3812:38, 9 July 2018 diff hist +1 NTARGET STATES →Related Tags and Sections
- 12:3812:38, 9 July 2018 diff hist +1 NTARGET STATES No edit summary
- 12:3812:38, 9 July 2018 diff hist −5 NTARGET STATES No edit summary
- 12:3812:38, 9 July 2018 diff hist +1 NTARGET STATES No edit summary
- 12:3712:37, 9 July 2018 diff hist +1 NCRPA BANDS No edit summary
- 12:3712:37, 9 July 2018 diff hist +1 NCRPA BANDS No edit summary
- 12:3712:37, 9 July 2018 diff hist +2 NCRPA BANDS No edit summary
- 12:3612:36, 9 July 2018 diff hist +493 N NCRPA BANDS Created page with "{{TAGDEF|NCRPA_BAND|[integer array]}} Description: Controls which bands are excluded in CRPA. Check also {{TAG|NTARGET_STATES}}. ---- For instance NCRPA_BAND = 21 22 23 r..."
- 12:3312:33, 9 July 2018 diff hist +173 LWRITE WANPROJ No edit summary
- 12:2912:29, 9 July 2018 diff hist +1 LWRITE WANPROJ No edit summary
- 12:2912:29, 9 July 2018 diff hist +344 N LWRITE WANPROJ Created page with "{{TAGDEF|LWRITE_WANPROJ|[logical]|.FALSE.}} Description: {{TAG|LWRITE_WANPROJ} determines whether the Wannier projection fille {{TAG|WANPROJ}} is written. == Related Tags an..."
- 12:2612:26, 9 July 2018 diff hist +20 NTARGET STATES No edit summary
- 12:2612:26, 9 July 2018 diff hist +163 NTARGET STATES No edit summary
- 12:2412:24, 9 July 2018 diff hist +366 N NTARGET STATES Created page with "{{TAGDEF|NTARGET_STATES|[integer array]}} Description: Controls which Wannier states are excluded in CRPA. Check also {{TAG|NCRPA_BAND}}. ---- For instance NTARGET_STATES..."
- 11:1411:14, 9 July 2018 diff hist −8,502 CRPA of SrVO3 No edit summary
- 11:1111:11, 9 July 2018 diff hist −629 CRPA of SrVO3 →Obtain DFT virtual orbitals and long-wave limit
- 11:1011:10, 9 July 2018 diff hist −85 CRPA of SrVO3 →Obtain DFT virtual orbitals and long-wave limit
- 11:1011:10, 9 July 2018 diff hist −228 CRPA of SrVO3 →Task
- 11:0911:09, 9 July 2018 diff hist +43 CRPA of SrVO3 →Task
- 11:0611:06, 9 July 2018 diff hist +27 CRPA of SrVO3 →Task
- 11:0511:05, 9 July 2018 diff hist −7 Bandstructure and CRPA of SrVO3 No edit summary
- 11:0311:03, 9 July 2018 diff hist +17,150 N CRPA of SrVO3 Created page with "{{Template:gw}} == Task == Calculation of the GW bandstructure of SrVO<sub>3</sub> using VASP and [http://www.wannier.org WANNIER90]. ---- Performing a GW calculation with..."
- 11:0211:02, 9 July 2018 diff hist +1 Bandstructure and CRPA of SrVO3 No edit summary
- 11:0111:01, 9 July 2018 diff hist +79 Template:GW - Tutorial No edit summary
- 10:5710:57, 9 July 2018 diff hist +88 Bandstructure and CRPA of SrVO3 →Post-processing: Density of states and Band structure for PBE, GW and HSE
- 10:5310:53, 9 July 2018 diff hist −20 Bandstructure and CRPA of SrVO3 →A comparison to the HSE hybrid functional
- 10:5010:50, 9 July 2018 diff hist +39 Bandstructure and CRPA of SrVO3 →The dielectric function
- 10:4410:44, 9 July 2018 diff hist −1 Bandstructure and CRPA of SrVO3 →GW Step
- 10:4310:43, 9 July 2018 diff hist −1 Bandstructure and CRPA of SrVO3 →The dielectric function
- 10:4310:43, 9 July 2018 diff hist +234 Bandstructure and CRPA of SrVO3 →HSE Calculation
- 10:3810:38, 9 July 2018 diff hist +283 Bandstructure and CRPA of SrVO3 →GW Step
- 10:3710:37, 9 July 2018 diff hist +42 Bandstructure and CRPA of SrVO3 →GW Step
- 10:3610:36, 9 July 2018 diff hist +33 Bandstructure and CRPA of SrVO3 →GW Step
- 10:3410:34, 9 July 2018 diff hist +85 Bandstructure and CRPA of SrVO3 →GW Step
- 10:3310:33, 9 July 2018 diff hist −7 Bandstructure and CRPA of SrVO3 →GW Calculation
- 10:3110:31, 9 July 2018 diff hist +585 Bandstructure and CRPA of SrVO3 →Task
- 10:2210:22, 9 July 2018 diff hist +838 Bandstructure and CRPA of SrVO3 →DFT, GW and HSE Calculation
3 July 2018
- 10:4510:45, 3 July 2018 diff hist +177 Bandstructure and CRPA of SrVO3 →CRPA calculation on full imaginary frequency axis (optional)
- 10:4010:40, 3 July 2018 diff hist +1,008 Bandstructure and CRPA of SrVO3 →CRPA Calculation
- 10:2010:20, 3 July 2018 diff hist −6 Bandgap of Si in GW →Step 2: obtain DFT virtual orbitals
- 09:1709:17, 3 July 2018 diff hist 0 Bandstructure and CRPA of SrVO3 →Alternative way to calculate the PBE band structure
- 09:1609:16, 3 July 2018 diff hist 0 Bandstructure and CRPA of SrVO3 →DFT groundstate calculation
- 09:1609:16, 3 July 2018 diff hist 0 Bandstructure and CRPA of SrVO3 →Obtain DFT virtual states and long-wave limit
- 09:1609:16, 3 July 2018 diff hist 0 Bandstructure and CRPA of SrVO3 →GW Calculation
- 09:1609:16, 3 July 2018 diff hist 0 Bandstructure and CRPA of SrVO3 →HSE Calculation
- 09:1509:15, 3 July 2018 diff hist 0 Bandstructure and CRPA of SrVO3 →CRPA Calculation
- 09:1509:15, 3 July 2018 diff hist 0 Bandstructure and CRPA of SrVO3 →CRPA calculation on full imaginary frequency axis (optional)
- 09:1509:15, 3 July 2018 diff hist 0 Bandstructure and CRPA of SrVO3 →Density of States
- 09:1509:15, 3 July 2018 diff hist 0 Bandstructure and CRPA of SrVO3 →Band structure with wannier90
- 09:1409:14, 3 July 2018 diff hist −11 Bandstructure and CRPA of SrVO3 →CRPA Calculation (optional)
2 July 2018
- 18:4318:43, 2 July 2018 diff hist −1,978 Bandstructure and CRPA of SrVO3 No edit summary
- 18:4218:42, 2 July 2018 diff hist +16,006 N Bandstructure and CRPA of SrVO3 Created page with "{{Template:gw}} == Task == Calculation of the GW bandstructure of SrVO<sub>3</sub> using VASP and [http://www.wannier.org WANNIER90]. ---- Performing a GW calculation with..."
- 18:4118:41, 2 July 2018 diff hist 0 GW and ACFDT - Tutorial No edit summary
- 18:4018:40, 2 July 2018 diff hist +42 GW and ACFDT - Tutorial No edit summary
- 16:1916:19, 2 July 2018 diff hist +1 Bandstructure of SrVO3 in GW →The DFT groundstate calculation and bandstructure with wannier90
- 16:0116:01, 2 July 2018 diff hist +34 GW and ACFDT - Tutorial No edit summary
- 10:2710:27, 2 July 2018 diff hist +46 Bandstructure of SrVO3 in GW →The DFT groundstate calculation and bandstructure with wannier90
- 10:1810:18, 2 July 2018 diff hist −1 Bandstructure of SrVO3 in GW →The DFT groundstate calculation and bandstructure with wannier90
1 June 2018
- 14:4114:41, 1 June 2018 diff hist +131 DOSCAR No edit summary
30 May 2018
- 15:2815:28, 30 May 2018 diff hist +554 LORBIT No edit summary
29 May 2018
- 14:0614:06, 29 May 2018 diff hist +7 WAVEDER No edit summary
18 May 2018
- 13:5213:52, 18 May 2018 diff hist −13 Construction:A Debian based installation of VASP No edit summary
- 13:5113:51, 18 May 2018 diff hist −76 Construction:A Ubuntu based installation of VASP No edit summary
- 13:4813:48, 18 May 2018 diff hist +2,305 N Construction:A Ubuntu based installation of VASP Created page with "The following guide builds an OpenMPI version of VASP using the GNU compiler suite and the LAPACK, SCALAPACK and FFTW library provided by the internal package manager APT. Thi..."
3 April 2018
- 09:3909:39, 3 April 2018 diff hist +19 ALGO No edit summary
- 09:3809:38, 3 April 2018 diff hist +563 IALGO →Miscellaneous
- 09:3509:35, 3 April 2018 diff hist +74 ALGO No edit summary
28 March 2018
- 15:5015:50, 28 March 2018 diff hist −8 Construction:A Fedora based installation of VASP No edit summary
- 15:3215:32, 28 March 2018 diff hist +38 Construction:A Debian based installation of VASP No edit summary
- 15:3215:32, 28 March 2018 diff hist +38 Construction:A Fedora based installation of VASP No edit summary
27 March 2018
- 14:3514:35, 27 March 2018 diff hist +86 INCAR No edit summary
26 March 2018
- 15:4515:45, 26 March 2018 diff hist +180 Si HSE bandstructure →Procedure 2: 0-weight (Fake) SC procedure (works DFT & hybrid functionals)
27 February 2018
- 14:5714:57, 27 February 2018 diff hist −21 Construction:A Debian based installation of VASP No edit summary
- 14:5714:57, 27 February 2018 diff hist −25 Construction:A Fedora based installation of VASP No edit summary
- 14:5314:53, 27 February 2018 diff hist +2,192 N Construction:A Fedora based installation of VASP Created page with "The following guide builds an OpenMPI version of VASP using the GNU compiler suite and the LAPACK, SCALAPACK and FFTW library provided by the internal package manager YUM. Thi..."
- 14:4214:42, 27 February 2018 diff hist +2,369 N Construction:A Debian based installation of VASP Created page with "The following guide builds an OpenMPI version of VASP using the GNU compiler suite and the LAPACK, SCALAPACK and FFTW library provided by the internal package manager APT. Thi..."
3 October 2017
- 16:1016:10, 3 October 2017 diff hist −1 Practical guide to GW calculations →The GW approximation of Hedin's equations
- 16:0916:09, 3 October 2017 diff hist −1 ACFDT/RPA calculations →Low scaling ACFDT/RPA algorithm
- 16:0816:08, 3 October 2017 diff hist −1 Practical guide to GW calculations No edit summary
- 16:0516:05, 3 October 2017 diff hist +151 Practical guide to GW calculations No edit summary
- 16:0216:02, 3 October 2017 diff hist +433 Practical guide to GW calculations →Low scaling GW algorithms
- 15:5115:51, 3 October 2017 diff hist +6 Practical guide to GW calculations →Low scaling GW algorithms
- 15:5115:51, 3 October 2017 diff hist +20 Practical guide to GW calculations →Low scaling GW algorithms
- 15:5015:50, 3 October 2017 diff hist 0 Practical guide to GW calculations →Low scaling GW algorithms
- 15:4915:49, 3 October 2017 diff hist +20 Practical guide to GW calculations →Low scaling GW algorithms
- 15:4815:48, 3 October 2017 diff hist +177 Practical guide to GW calculations →References