User contributions for Kaltakm

08:0908:09, 21 February 2024 diff hist +6‎ IALL IN ONE ‎No edit summary current
08:0608:06, 21 February 2024 diff hist +1,021‎ N DMFT BASIS ‎ Created page with "{{DISPLAYTITLE:DMFT_BASIS}} {{TAGDEF|DMFT_BASIS|MLWF {{!}} BLOCH {{!}} LOCPROJ}} Description: Specifies which basis is used for Coulomb matrix elements in CRPA calculations. ---- This tag is effective for {{TAG|ALGO}}=CRPA[R] and {{TAG|ALGO}}=2E4W and is ignored otherwise. The tag affects how {{TAG|NTARGET_STATES}} is interpreted. For instance DMFT_BASIS = BLOCH NTARGET_STATES = 1 4 5 8 evaluates the Coulomb matrix elements in the Bloch basis for band 1, 4, 5 and..." current

09:4409:44, 29 September 2023 diff hist +4,080‎ N LSINGLES ‎ Created page with "{{TAGDEF|LSINGLES|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: calculate singles contribution to correlation energy using GW algorithms.{{cite|klimes:jcp:143}} ---- This tag c..."

08:0908:09, 21 September 2023 diff hist −2‎ ACFDT/RPA calculations ‎No edit summary
08:0808:08, 21 September 2023 diff hist +1,140‎ ACFDT/RPA calculations ‎No edit summary
07:2407:24, 21 September 2023 diff hist +81‎ N File:SinglesDiagrams.png ‎ Feynman Diagrams of Singles contribution to the correlation energy. current

14:4714:47, 23 November 2022 diff hist +1,331‎ N NOMEGA DUMP ‎ Created page with "{{TAGDEF|NOMEGA_DUMP|[integer]}} {{DEF|NOMEGA_DUMP|-1|}} {{NB| warning | Available as of version 6.3.2.}} Description: {{TAG|NOMEGA_DUMP}} selects the imaginary frequency poin..."
14:4714:47, 23 November 2022 diff hist +20‎ NOMEGA ‎No edit summary
14:4514:45, 23 November 2022 diff hist +2,006‎ N NBANDS WAVE ‎ Created page with "{{TAGDEF|NBANDS_WAVE|[integer]}} {{DEF|NBANDS_WAVE |{{TAG|NBANDSGW}} |for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. and {{TAG|NBANDS}}<1 |{{TAG|NBANDS}} |for {{TAG|LALL_IN_ONE}}{{..."
14:4414:44, 23 November 2022 diff hist +1,731‎ N IALL IN ONE ‎ Created page with "{{TAGDEF|IALL_IN_ONE|[integer]}} {{DEF|IALL_IN_ONE|1|for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. or {{TAG|NBANDS}}<0|-1|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE.}} Description: {{TAG|IALL_I..."
14:4414:44, 23 November 2022 diff hist +1,719‎ N LALL IN ONE ‎ Created page with "{{TAGDEF|LALL_IN_ONE|.FALSE. {{!}} .TRUE.}} {{DEF|LALL_IN_ONE |.FALSE.|for {{TAG|NBANDS}}>0 |.TRUE.|for {{TAG|NBANDS}}<0 }} Description: {{TAG|LALL_IN_ONE}}=.TRUE. enables th..."
14:4214:42, 23 November 2022 diff hist +1,580‎ N NBANDSEXACT ‎ Created page with "{{TAGDEF|NBANDSEXACT|[integer]}} {{DEF|NBANDSEXACT|-1|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE.|maximum number of plane waves|for {{TAG|LALL_IN_ONE}}{{=}}.TRUE.}} Description: {{TA..."