[ase-users] ASE relaxation with VASP

["김민철"]

Hi all,I have an inquiry on ASE relaxation calculations with VASP calculator.I'm trying to do a constrained relaxation using ASE and VASP calculator.Is it reasonble to do one step of electronic relaxation (energy evaluation) and then do a ASE relaxation with the NELMDL parameter set to 0 or 1 using the output of the previous run?Thanks=============================================Dr. Min-Cheol Kim Post Doc.Computational Science Research CenterKorea Institute of Science and Technology (KIST)Hwarangno 14-gil 5, Seongbuk-gu, Seoul 136-791Republic of Korea Cell : +82-10-5376-9401Email : mincheolkim at kist.re.kr=============================================
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