User contributions for Karsai
19 July 2022
- 07:5007:50, 19 July 2022 diff hist −1 Berry phases and finite electric fields →References
- 07:4907:49, 19 July 2022 diff hist +28 LOPTICS →References
- 07:4907:49, 19 July 2022 diff hist 0 XAS theory →References
- 07:4807:48, 19 July 2022 diff hist 0 Berry phases and finite electric fields →References
- 07:4707:47, 19 July 2022 diff hist 0 LOPTICS →References
- 07:4607:46, 19 July 2022 diff hist 0 LEPSILON →References
- 07:4407:44, 19 July 2022 diff hist −54 LASYNC No edit summary
- 07:0107:01, 19 July 2022 diff hist −1 KPOINTS →Band-structure calculations
- 07:0107:01, 19 July 2022 diff hist +213 KPOINTS →Band-structure calculations
- 06:5006:50, 19 July 2022 diff hist +10 CH LSPEC No edit summary
- 06:5006:50, 19 July 2022 diff hist +7 CH LSPEC →Related tags and articles
- 06:4806:48, 19 July 2022 diff hist +1 Constrained molecular dynamics No edit summary
- 06:4606:46, 19 July 2022 diff hist +24 Construction:Blue-moon ensemble No edit summary
- 06:4506:45, 19 July 2022 diff hist +1 Category:Constrained molecular dynamics No edit summary current
- 06:4206:42, 19 July 2022 diff hist +26 LBLUEOUT →Related tags and articles
- 06:4106:41, 19 July 2022 diff hist +16 LBLUEOUT No edit summary
- 06:3906:39, 19 July 2022 diff hist +89 LBLUEOUT No edit summary
22 June 2022
- 13:2413:24, 22 June 2022 diff hist +5 Construction:TODO No edit summary
- 13:2413:24, 22 June 2022 diff hist +248 Construction:TODO No edit summary
16 May 2022
- 08:4808:48, 16 May 2022 diff hist −470 ML EPS REG No edit summary current
- 08:4708:47, 16 May 2022 diff hist 0 ML EPS REG No edit summary
13 May 2022
- 13:1013:10, 13 May 2022 diff hist +72 Known issues No edit summary
11 May 2022
- 13:5613:56, 11 May 2022 diff hist +1 Known issues No edit summary
- 13:5513:55, 11 May 2022 diff hist +971 Known issues No edit summary
10 May 2022
- 07:2407:24, 10 May 2022 diff hist −4 ML LHEAT No edit summary current
6 May 2022
- 11:4211:42, 6 May 2022 diff hist +6 POMASS No edit summary
- 11:3511:35, 6 May 2022 diff hist −23 Category:Machine-learned force fields No edit summary
- 11:3411:34, 6 May 2022 diff hist +1 ML SCLC CTIFOR No edit summary
- 11:3411:34, 6 May 2022 diff hist +163 ML SCLC CTIFOR No edit summary
- 11:3111:31, 6 May 2022 diff hist +543 ML SCLC CTIFOR No edit summary
- 11:2311:23, 6 May 2022 diff hist +23 ML SCLC CTIFOR No edit summary
- 11:2311:23, 6 May 2022 diff hist −5 ML SCLC CTIFOR No edit summary
- 11:2211:22, 6 May 2022 diff hist +112 ML SCLC CTIFOR No edit summary
- 11:2111:21, 6 May 2022 diff hist +202 N ML SCLC CTIFOR Created page with "{{DISPLAYTITLE:ML_SCLC_CTIFOR}} {{TAGDEF|ML_IREG|[real]|0.8}} Description: ---- == Related tags and articles == {{TAG|ML_LMLFF}}, ---- Category:INCAR tagCategory:Mac..."
- 11:1911:19, 6 May 2022 diff hist +23 Category:Machine-learned force fields No edit summary
26 April 2022
- 17:1817:18, 26 April 2022 diff hist +113 REPORT →Related Tags and Sections
- 17:1717:17, 26 April 2022 diff hist +32 REPORT No edit summary
- 15:0315:03, 26 April 2022 diff hist +32 ICONST →Related tags and sections
15 April 2022
- 15:3315:33, 15 April 2022 diff hist +1,035 Nuclephile Substitution CH3Cl - mMD3 →2D free-energy profile current
- 15:3015:30, 15 April 2022 diff hist +310 XANES in Diamond →Step 4 Extraction of XAS Spectrum current
- 15:2415:24, 15 April 2022 diff hist +2,384 XANES in Diamond →Step 4 Extraction of XAS Spectrum
- 15:2215:22, 15 April 2022 diff hist +3,595 Band gap renormalization in diamond using one-shot method →Temperature dependence of the band gap including volume effects current
- 15:1815:18, 15 April 2022 diff hist +1,718 Band gap renormalization in diamond using one-shot method →Temperature dependence of the band gap
- 15:1615:16, 15 April 2022 diff hist +254 Band gap renormalization in diamond using one-shot method →Temperature dependence of the band gap
- 15:1515:15, 15 April 2022 diff hist +1,969 Band gap renormalization in diamond using one-shot method →Extract ZPR
- 15:1315:13, 15 April 2022 diff hist +7,030 Liquid Si - MLFF →Structral properties of the force field current
- 15:1115:11, 15 April 2022 diff hist +338 Nuclephile Substitution CH3Cl - BM →Free-energy profile
- 15:1015:10, 15 April 2022 diff hist +893 Nuclephile Substitution CH3Cl - BM →Free-energy profile
- 15:0815:08, 15 April 2022 diff hist +3,102 Nuclephile Substitution CH3Cl - BM →{{TAG|POSCAR}}
- 15:0615:06, 15 April 2022 diff hist +338 Nuclephile Substitution CH3Cl - SG →Free energy profile current