reference configuration for which the pseudopotential was created, etc. If tags for the mass and valence exist in the INCAR file, they are checked against...
2 KB (214 words) - 08:12, 20 October 2023
hybrid functionals, Hybrid functionals: formalism Examples that use this tag...
2 KB (262 words) - 08:29, 18 October 2023
defaults can be superseded by specifying the ROPT tag in the INCAR file. ROPT, PREC Examples that use this tag ↑ R. D. King-Smith, M. C. Payne, and J. S. Lin...
6 KB (662 words) - 13:12, 20 October 2023
for all other tags. Every tag that is affected by this "super tag" can be overwritten by the user by simply specifying the value for that tag. The following...
9 KB (987 words) - 22:21, 19 October 2023
Ensembles, Selective-dynamics mode of the POSCAR file Examples that use this tag...
3 KB (416 words) - 16:05, 6 February 2024
it and fall to the default settings. NELMDL, NELMIN Examples that use this tag...
985 bytes (134 words) - 10:39, 8 February 2024
at the end of a run. LCHARG, LCHARGH5, LWAVEH5, LH5 Examples that use this tag...
398 bytes (33 words) - 07:48, 2 June 2022
Matter 30, 475901 (2018). RWIGS, PROCAR, PROOUT, DOSCAR Examples that use this tag...
8 KB (1,244 words) - 11:48, 7 February 2024
thermostat and Andersen thermostat. TEEND, IBRION, SMASS Examples that use this tag...
2 KB (285 words) - 12:22, 7 September 2022
parallel (available as of VASP.5.3.2). Also, KPAR is used as parallelization tag for Laplace transformed MP2 calculations. VASP currently offers parallelization...
2 KB (250 words) - 14:24, 8 April 2022
moments can be written to the OUTCAR file by setting LORBIT tag (and if LORBIT<10 , the RWIGS tag in addition) in the INCAR file. If you have problems converging...
5 KB (620 words) - 12:27, 26 September 2023
time) points. NOMEGAR, NTAUPAR, LSPECTRAL NOMEGA_DUMP Examples that use this tag...
2 KB (233 words) - 08:51, 21 February 2024
WAVECAR and CHGCAR file, and supply initial magnetic moments using the MAGMOM tag. We recommend setting GGA_COMPAT = False and LASPH= True for noncollinear...
3 KB (361 words) - 12:25, 26 September 2023
hybrid functionals, Hybrid functionals: formalism Examples that use this tag...
1 KB (57 words) - 11:12, 7 February 2024
hybrid functionals, Hybrid functionals: formalism Examples that use this tag...
1 KB (58 words) - 10:22, 7 February 2024
hybrid functionals, Hybrid functionals: formalism Examples that use this tag...
976 bytes (79 words) - 11:50, 19 October 2023
and CHG) are written. LWAVE, LWAVEH5, LCHARGH5, LH5 Examples that use this tag...
406 bytes (28 words) - 07:49, 2 June 2022
of the NELMIN tag. In some cases, e.g., in molecular-dynamics runs, or ionic-minimization methods, we recommend increasing the NELMIN tag to a value between...
600 bytes (61 words) - 14:54, 7 April 2022
LNABLA, LEPSILON, Time Evolution, WPLASMAI See also: Examples that use this tag ↑ M. Gajdoš, K. Hummer, G. Kresse, J. Furthmüller, and F. Bechstedt, Phys...
4 KB (544 words) - 15:09, 2 February 2024
MAXMIX, BMIX, AMIX_MAG, BMIX_MAG, AMIN, MIXPRE, WC Examples that use this tag...
2 KB (185 words) - 08:15, 20 October 2023
