User contributions for Kaltakm
16 November 2020
- 15:4415:44, 16 November 2020 diff hist −9 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4315:43, 16 November 2020 diff hist 0 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4215:42, 16 November 2020 diff hist −685 ALGO No edit summary
- 15:4115:41, 16 November 2020 diff hist −2,994 Practical guide to GW calculations No edit summary
- 14:3514:35, 16 November 2020 diff hist −866 Practical guide to GW calculations →Low scaling GW algorithms
5 November 2020
- 11:3311:33, 5 November 2020 diff hist +301 Practical guide to GW calculations →Partially self-consistent GW caluclations: GW0R or scGW0R
- 11:0111:01, 5 November 2020 diff hist −94 Practical guide to GW calculations →Low scaling, self-consistent quasi-particle calculations: QPGW0R
- 10:5910:59, 5 November 2020 diff hist +113 Practical guide to GW calculations →Partially self-consistent quasi-particle calculations: QPGW0
- 10:5810:58, 5 November 2020 diff hist +95 NATURALO →Related Tags and Sections
- 10:5110:51, 5 November 2020 diff hist +1 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 10:5010:50, 5 November 2020 diff hist +21 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 10:5010:50, 5 November 2020 diff hist +1 Practical guide to GW calculations →References
- 10:5010:50, 5 November 2020 diff hist +149 Practical guide to GW calculations →References
- 10:4610:46, 5 November 2020 diff hist +37 Practical guide to GW calculations →Related Tags and Sections
- 10:4510:45, 5 November 2020 diff hist −10 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 10:4410:44, 5 November 2020 diff hist −4 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 10:4410:44, 5 November 2020 diff hist +1 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 10:4210:42, 5 November 2020 diff hist +1 Practical guide to GW calculations →Partially self-consistent GW caluclations: GW0R or scGW0R
- 10:3710:37, 5 November 2020 diff hist +14 Practical guide to GW calculations →Low scaling, self-consistent quasi-particle calculations: QPGW0R
- 10:3710:37, 5 November 2020 diff hist +2 Practical guide to GW calculations →Self-consistent EVGW and QPGW calculations
- 10:3510:35, 5 November 2020 diff hist +2 Practical guide to GW calculations →Partially self-consistent calculations: EVGW0
- 10:3410:34, 5 November 2020 diff hist +1,185 Practical guide to GW calculations →Partially self-consistent calculations: EVGW0
- 10:3110:31, 5 November 2020 diff hist +18 Practical guide to GW calculations →Low scaling, single shot GW calculations: G0W0R
- 10:3010:30, 5 November 2020 diff hist +2,805 Practical guide to GW calculations →Low scaling GW algorithms
- 10:2810:28, 5 November 2020 diff hist +1 Practical guide to GW calculations →Fully self-consistent GW caluclations: GWR or scGWR
- 10:2810:28, 5 November 2020 diff hist +1 Practical guide to GW calculations →Low scaling, fully self-consistent quasi-particle calculations: QPGWR
- 10:2810:28, 5 November 2020 diff hist +2 Practical guide to GW calculations →Low scaling, self-consistent quasi-particle calculations: QPGW0R
- 10:2710:27, 5 November 2020 diff hist +2 Practical guide to GW calculations →Caveats
- 10:2710:27, 5 November 2020 diff hist +2 Practical guide to GW calculations →Partially self-consistent quasi-particle calculations: QPGW0
- 10:2710:27, 5 November 2020 diff hist +4 Practical guide to GW calculations →Partially self-consistent calculations: EVGW0
- 10:2710:27, 5 November 2020 diff hist +1 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 10:2610:26, 5 November 2020 diff hist +1 Practical guide to GW calculations →First step: DFT calculation
- 10:2610:26, 5 November 2020 diff hist +61 Practical guide to GW calculations →First step: DFT calculation
- 10:2510:25, 5 November 2020 diff hist +4 Practical guide to GW calculations →Self-consistent EVGW and QPGW calculations
- 10:2410:24, 5 November 2020 diff hist +3 Practical guide to GW calculations →First step: DFT calculation
- 10:2410:24, 5 November 2020 diff hist +3 Practical guide to GW calculations →Optional: Use Hybrid functionals
- 10:2410:24, 5 November 2020 diff hist +1 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 10:2110:21, 5 November 2020 diff hist −4 Practical guide to GW calculations →Single shot quasi-particle energies: G0W0
- 09:5509:55, 5 November 2020 diff hist +2 Practical guide to GW calculations No edit summary
- 09:5509:55, 5 November 2020 diff hist +34 Practical guide to GW calculations No edit summary
- 09:2309:23, 5 November 2020 diff hist +318 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 09:1309:13, 5 November 2020 diff hist −9 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 09:1309:13, 5 November 2020 diff hist +9 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 09:1209:12, 5 November 2020 diff hist +15 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 09:1109:11, 5 November 2020 diff hist −10 Practical guide to GW calculations →Fully self-consistent GW caluclations: GWR or scGWR
- 09:1009:10, 5 November 2020 diff hist +2 Practical guide to GW calculations →Partially self-consistent GW caluclations: GW0R or scGW0R
1 September 2020
- 07:4007:40, 1 September 2020 diff hist +144 AMIX No edit summary
25 August 2020
- 13:1713:17, 25 August 2020 diff hist +114 NEDOS No edit summary
- 13:1413:14, 25 August 2020 diff hist +79 LCALCPOL No edit summary
16 June 2020
- 14:3314:33, 16 June 2020 diff hist +5 Matsubara formalism No edit summary
- 14:3214:32, 16 June 2020 diff hist −32 Matsubara formalism No edit summary
- 14:3114:31, 16 June 2020 diff hist −1 Matsubara formalism No edit summary
- 14:3114:31, 16 June 2020 diff hist +8 Matsubara formalism No edit summary
- 14:3014:30, 16 June 2020 diff hist +2,151 Matsubara formalism No edit summary
- 13:1113:11, 16 June 2020 diff hist +147 Template:Cite No edit summary
- 13:0513:05, 16 June 2020 diff hist +9 Template:Cite No edit summary
- 13:0413:04, 16 June 2020 diff hist +65 Matsubara formalism No edit summary
- 13:0413:04, 16 June 2020 diff hist +173 Template:Cite No edit summary
- 12:5912:59, 16 June 2020 diff hist +365 LFINITE TEMPERATURE No edit summary
- 12:5212:52, 16 June 2020 diff hist +1 Template:Cite No edit summary
- 12:5212:52, 16 June 2020 diff hist +184 Template:Cite No edit summary
- 12:3112:31, 16 June 2020 diff hist +10 LFINITE TEMPERATURE No edit summary
- 12:2912:29, 16 June 2020 diff hist +416 N LFINITE TEMPERATURE Created page with "{{TAGDEF|LFINITE_TEMPERATURE|[logical]|.FALSE.}} Description: {{TAG|LWAVE}} determines whether the wavefunctions are written to the {{TAG|WAVECAR}} file at the end of a run...."
- 12:2112:21, 16 June 2020 diff hist +117 Matsubara formalism No edit summary
- 12:2112:21, 16 June 2020 diff hist +83 ACFDT/RPA calculations →Related Tags and Sections
- 12:1712:17, 16 June 2020 diff hist +115 N Matsubara formalism Created page with "The zero-temperature formalism of many-body perturbation theory breaks down for metals (system with zero band gap)."
- 12:1612:16, 16 June 2020 diff hist +92 RPA/ACFDT: Correlation energy in the Random Phase Approximation No edit summary
24 February 2020
- 14:5514:55, 24 February 2020 diff hist +36 KPAR No edit summary
- 14:5414:54, 24 February 2020 diff hist +17 KPAR No edit summary
- 14:5014:50, 24 February 2020 diff hist +16 KPAR No edit summary
- 14:5014:50, 24 February 2020 diff hist +14 LMP2LT →Related Tags and Sections
- 14:4914:49, 24 February 2020 diff hist +14 NSTORB →Related Tags and Sections
- 14:4914:49, 24 February 2020 diff hist +14 LSMP2LT →Related Tags and Sections
- 14:4914:49, 24 February 2020 diff hist +312 KPAR No edit summary
- 14:4114:41, 24 February 2020 diff hist −51 NSTORB No edit summary
- 14:4114:41, 24 February 2020 diff hist 0 NSTORB No edit summary
- 14:4014:40, 24 February 2020 diff hist +957 N NSTORB Created page with "{{TAGDEF|NSTORB|[integer]}} {{DEF|NSTORB|-1|}} Description: {{TAG|NSTORB}} specifies the number of stochastic orbitals per cycle in the stochastic MP2 algorithm.{{cite|Schaef..."
- 14:3514:35, 24 February 2020 diff hist +17 LMP2LT →Related Tags and Sections
- 14:3414:34, 24 February 2020 diff hist +1,140 N ESTOP Created page with "{{TAGDEF|ESTOP|[real]}} {{DEF|ESTOP|0.05| }} Description: {{TAG|ESTOP}} specifies the stop condition for stochastic MP2.{{cite|Schaefer:JCP2017}} ---- {{TAGBL|ESTOP}} define..."
- 14:2514:25, 24 February 2020 diff hist +714 N LSMP2LT Created page with "{{TAGDEF|LSMP2LT|.FALSE. {{!}} .TRUE.}} {{DEF|LSMP2LT|.FALSE.|}} Description: {{TAG|LSMP2LT}} selects a stochastic Laplace transformed MP2 algorithm. ---- If {{TAG|LSMP2LT}}..."
- 14:2214:22, 24 February 2020 diff hist −2 Stochastic LTMP2 No edit summary
- 14:2114:21, 24 February 2020 diff hist +1 MP2 No edit summary
- 14:2114:21, 24 February 2020 diff hist −22 Stochastic LTMP2 No edit summary
- 14:2014:20, 24 February 2020 diff hist +1,842 N MP2 Created page with "By specifying {{TAG|ALGO}}=''MP2'' in the {{TAG|INCAR}} file VASP calculates MP2 correlation energies. It is strongly recommended to calculate all virtual states spanned by th..."
- 14:1814:18, 24 February 2020 diff hist +90 Stochastic LTMP2 →The INCAR file
- 14:1614:16, 24 February 2020 diff hist +2 LMP2LT No edit summary
- 14:1614:16, 24 February 2020 diff hist +8 LMP2LT No edit summary
- 14:1514:15, 24 February 2020 diff hist +2 Template:Cite No edit summary
- 14:1514:15, 24 February 2020 diff hist +647 N LMP2LT Created page with "{{TAGDEF|LMP2LT|.FALSE. {{!}} .TRUE.}} {{DEF|LMP2LT|.FALSE.|}} Description: {{TAG|LMP2LT}} selects a Laplace transformed MP2 algorithm. ---- If {{TAG|LMP2LT}}=.TRUE. and {{T..."
- 14:0214:02, 24 February 2020 diff hist +172 Template:Cite No edit summary
3 February 2020
- 11:1011:10, 3 February 2020 diff hist 0 MAXMEM No edit summary
- 11:1011:10, 3 February 2020 diff hist +5 MAXMEM No edit summary
31 January 2020
- 15:1015:10, 31 January 2020 diff hist −11 Toolchains No edit summary
- 15:1015:10, 31 January 2020 diff hist −8 Toolchains No edit summary
- 15:0915:09, 31 January 2020 diff hist +12 Toolchains No edit summary
- 15:0715:07, 31 January 2020 diff hist +196 Toolchains No edit summary
- 15:0215:02, 31 January 2020 diff hist +530 Toolchains No edit summary
- 14:5414:54, 31 January 2020 diff hist −1 Construction:Linking gfortran with Intel MKL No edit summary
- 14:5314:53, 31 January 2020 diff hist 0 Construction:Linking gfortran with Intel MKL No edit summary
- 14:5314:53, 31 January 2020 diff hist +25 Toolchains No edit summary
- 14:5114:51, 31 January 2020 diff hist −153 Toolchains No edit summary
- 14:3814:38, 31 January 2020 diff hist +2,325 Toolchains No edit summary
30 January 2020
- 08:2008:20, 30 January 2020 diff hist −17 Validation tests →Directly execute the runtest script
- 08:1908:19, 30 January 2020 diff hist +4 Validation tests →Directly execute the runtest script
16 December 2019
- 14:0414:04, 16 December 2019 diff hist +3 LFOCKACE No edit summary
- 14:0214:02, 16 December 2019 diff hist +831 LFOCKACE No edit summary
- 13:3513:35, 16 December 2019 diff hist +62 LFOCKACE No edit summary
- 13:3313:33, 16 December 2019 diff hist +1 LFOCKACE No edit summary
- 13:3313:33, 16 December 2019 diff hist +603 N LFOCKACE Created page with "{{TAGDEF|LFOCKACE|.TRUE. {{!}} .FALSE. | .TRUE.}} Description: {{TAG|LHFCALC}} determines whether the Adaptively Compressed Exchange Operator is used.{{cite|linlin:jctc:2016}..."
- 13:3013:30, 16 December 2019 diff hist +156 Template:Cite No edit summary
29 October 2019
- 19:1819:18, 29 October 2019 diff hist +2 IOP Chester 2019 →Surfaces and Interfaces current
- 19:1719:17, 29 October 2019 diff hist +3 IOP Chester 2019 →Optimisation in the bulk
- 19:1719:17, 29 October 2019 diff hist +127 IOP Chester 2019 →Further Examples
- 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
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- 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
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- 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
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- 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