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vaspÖеÄOUTCAR³öÏÖÁËkinetic energy error for atom£¬ÄÄλ´óÉñ½âÊÍһϣ¿
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vaspÖеÄOUTCAR³öÏÖÁËkinetic energy error for atom= 0.0389 (will be added to EATOM!!)£¬ÄÄλ´óÉñ½âÊÍһϣ¿ 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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