请问vasp计算中开始任务还能正常进行，突然出现这样的报错，而后任务终止。

vickiCX · 发表于 Post on 2025-7-14 09:12:56

ERROR: MINIMIZE_L: failed to converge in 200 iterations
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...
VASP aborting ...

1138711019 · 发表于 Post on 2025-7-14 10:47:53

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[VASP] 请问vasp计算中开始任务还能正常进行，突然出现这样的报错，而后任务终止。