Try lreal auto in the incar file
WebThe ``precision'' mode works both for LREAL=On and LREAL=Auto (but to maintain compatibility with older VASP version it is only selected if LREAL= Auto is specified in the INCAR file). The precision mode is generally switched on … Web1 day ago · 111. eV. Level 2 能力者, 积分 credits 125, 距离下一级还需 25 积分 credits. 积分. 125. Level 2 能力者. 发消息 Send PM. 发表于 Post on 2015-10-16 11:53:57 显示全部楼层 …
Try lreal auto in the incar file
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WebNov 15, 2012 · it might be more efficient to use real space projection opertators So try LREAL= Auto in the INCAR file. Mind: At the moment your POTCAR file does not … WebAug 31, 2024 · As suggested, use LREAL=Auto or LREAL=.FALSE. (Sometimes that warning remains even after adding this tag). For the apparent NCORE issue, would be great if you …
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WebJul 25, 2024 · Default: ENCUT = largest ENMAX from POTCAR-file. EDIFF = 1E-04 # stopping-criterion for ELM Specifies the global break condition for the electronic SC-loop. LREAL = F # real-space projection Default: LREAL = F, projection done in reciprocal space. NLSPLINE = F # pline interpolate recip. space projectors; Ionic relaxation WebApr 7, 2024 · One died and others were injured in a car accident in Irving after five teen girls ditched school and stole alcohol on National Walkout Day, April 5, 2024. File photo A …
Web So try LREAL= Auto in the INCAR file. Mind: At the moment your POTCAR file does not contain real space projectors, and has to be modified, BUT if you
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