User contributions for Kresse
12 March 2024
- 17:0217:02, 12 March 2024 diff hist +14 NTEMPER No edit summary current Tag: Visual edit: Switched
- 17:0117:01, 12 March 2024 diff hist +67 NTEMPER No edit summary
- 17:0117:01, 12 March 2024 diff hist +22 NTEMPER No edit summary
- 16:4616:46, 12 March 2024 diff hist +183 m NTEMPER No edit summary
- 16:4116:41, 12 March 2024 diff hist +256 m IMAGES NTEMPER=0 added current
16 February 2024
- 15:5815:58, 16 February 2024 diff hist +16 Available PAW potentials No edit summary current
15 November 2023
- 20:2620:26, 15 November 2023 diff hist −1 IBRION →{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix, and phonon frequencies (perturbation theory).
- 20:2520:25, 15 November 2023 diff hist +12 m IBRION →{{TAG|IBRION}}=5 and 6: second derivatives, Hessian matrix and phonon frequencies (finite differences).
- 20:2420:24, 15 November 2023 diff hist −1 m EDIFF No edit summary current
- 20:2320:23, 15 November 2023 diff hist −10 m EDIFF No edit summary
- 20:1920:19, 15 November 2023 diff hist +231 EDIFF No edit summary
- 20:1020:10, 15 November 2023 diff hist +332 m IBRION Suggestion to set EDIFF to 1E-6 for IBRION=5-8 Tag: Visual edit: Switched
2 November 2023
- 16:2116:21, 2 November 2023 diff hist +720 m ACFDT/RPA calculations Added explanation on how RPA forces are used to suggest a new set of positions.
13 October 2023
- 07:1207:12, 13 October 2023 diff hist +1 m ML SCLC CTIFOR →Related tags and articles Tag: Visual edit
- 07:1007:10, 13 October 2023 diff hist +515 ML SCLC CTIFOR Complete rewrite to improve clarity
- 06:4606:46, 13 October 2023 diff hist +168 ML CTIFOR Reference to ML_SCLC_CTIFOR added current Tag: Visual edit: Switched
- 06:4006:40, 13 October 2023 diff hist +47 m ML CTIFOR No edit summary
21 September 2023
- 07:5407:54, 21 September 2023 diff hist +504 ISIF Explanation of sign convention for stress tensor in VASP.
20 September 2023
- 08:3008:30, 20 September 2023 diff hist +5 m LSORBIT No edit summary Tag: Visual edit
- 08:2608:26, 20 September 2023 diff hist +195 LSORBIT Rephrased paragraph where switching off symmetry is recommended. Tag: Visual edit