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新虫 (小有名气)

应助: 0 (幼儿园)
金币: 127.5
散金: 11
帖子: 193
在线: 96.4小时
虫号: 1136177
注册: 2010-11-01
专业: 新型信息器件

[求助] VASP spin-orbit ERROR求助！

最近用VASP 自旋轨道耦合计算总是出错，不知道什么原因，求大虾解答！
ERROR!!!
VASP failed. Please check VASP.out and OUTCAR.out for the reason.
while executing
"error "VASP failed. Please check $vaspoutname and $filename for the reason.""
(object "::parser0" method "::VASP52:

arser::OUTCAR" body line 25)
invoked from within
"$parser OUTCAR OUTCAR.out"
(object "::batch0" method "::VASP52::Batch::singlePoint" body line 1)
invoked from within
"$this singlePoint"
("Single Point" arm line 4)
invoked from within
"switch $calculation {
{Molecular Dynamics} {
$this results add system -nocomplain -asdefault "initial"
$this results add calculation -nocompl..."
(object "::batch0" method "::VASP52::Batch::run" body line 23)
invoked from within
"$VASP run"
("uplevel" body line 45)
invoked from within
"# Compiled -- no source code available
error "called a copy of a compiled script""
(procedure "run" line 1)
invoked from within
"run"

Standard error
--------------------------------------------------------------------------------
VASP failed. Please check VASP.out and OUTCAR.out for the reason.

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