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qiuqiucat333金虫 (初入文坛)
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[求助]
vasp中的OUTCAR出现了kinetic energy error for atom，哪位大神解释一下？
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vasp中的OUTCAR出现了kinetic energy error for atom= 0.0389 (will be added to EATOM!!)，哪位大神解释一下？ PAW_PBE Ti_pv 07Sep2000 : energy of atom 1 EATOM=-1042.3781 kinetic energy error for atom= 0.0035 (will be added to EATOM!!) PAW_PBE O 08Apr2002 : energy of atom 2 EATOM= -432.3788 kinetic energy error for atom= 0.0389 (will be added to EATOM!!) |
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