User contributions for Kaltakm
5 November 2020
- 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