苏雪痕 发表于 2018-11-22 15:13:34

VASP这样的运行出错提示是哪个参数不对呢

running on2 nodes
distr:one band on1 nodes,2 groups
vasp.5.2.2 15Apr09 complex
POSCAR found :1 types and128 ions
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|ADVICE TO THIS USER RUNNING 'VASP/VAMP'(HEAR YOUR MASTER'S VOICE ...):|
||
|You have a (more or less) 'large supercell' and for larger cells|
|it might be more efficient to use real space projection operators|
|So try LREAL= Autoin the INCARfile.|
|Mind: If you want to do a very accurate calculations keep the|
|reciprocal projection scheme(i.e. LREAL=.FALSE.)|
||
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LDA part: xc-table for Ceperly-Alder, standard interpolation
VERY BAD NEWS! internal error in subroutine LATTYP:
Cellvolume is zero !-3
VERY BAD NEWS! internal error in subroutine LATTYP:
Cellvolume is zero !-3

沐栀凝 发表于 2018-11-22 15:13:43


LREAL= Auto

雪鸾莎 发表于 2018-11-22 15:15:02

POSCAR出错，Cellvolume is zero !原胞体积为0
LREAL那个是warning，影响计算精度，程序一样会算的

苏雪痕 发表于 2018-11-22 15:15:07

:handshake
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