计算化学公社
标题:
vasp报错:扩胞后:aliasing errors must be expected set NGX to 118 to avoi...
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作者Author:
qiyaqi
时间:
2023-4-1 16:48
标题:
vasp报错:扩胞后:aliasing errors must be expected set NGX to 118 to avoi...
在扩胞之后计算出现报错:
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INCAR文件:
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KPOINTS文件:
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POSCAR文件:
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作者Author:
qiyaqi
时间:
2023-4-1 16:51
请教各位老师,出现这种情况应该怎样解决。
我有自己搜过帖子说:增大ENCUT会改善这种情况,我试过了,依旧无法解决。
也将INCAR设置了NGX=118,NGY=118,NGZ=118,也依旧没有解决问题。
作者Author:
wuyao
时间:
2023-7-18 17:02
请问,您解决了吗,我也是相同的问题。
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