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Jul 25, 2024 · Description: ICHARG determines how VASP constructs the initial charge density. ICHARG=0. Calculate the charge density from initial wave functions.
Dec 13, 2023 · While doing band structure calculations with SCAN FUNCTIONAL AND ICHARG = 11, the error pops up “ICHARG>9 is currently not supported for meta-GGA ...
Apr 12, 2024 · A DOS calculation is typically done in two steps: (1) a self consistent, static, converged calculation and (2) a non-self consistent calculation.
Jan 22, 2024 · I have been trying to do Piezoelectric and Elastic calculations for my system in VASP, and i ended up with this error. ... I just saw that you have ICHARG= 11 and ...
Sep 16, 2024 · ICHARG = 2 ! ICHARG = 2 if ISTART = 0... ICHARG = 1 read the charge density from CHGCAR... ICHARG = 11 for restarting calculation DOS. ISIF = 2 ! 2 ...