User contributions for Kaltakm

16 June 2020

• 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}..."