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介电和伯恩电荷,

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请教大佬如何在VASP上算带隙小于0的金属性的介电和伯恩电荷,常规方法一直出错:
CHECK_OCCUPATIONS: ERROR, system is not insulating.
CHECK_OCCUPATIONS: ERROR, system is not insulating.
CHECK_OCCUPATIONS: ERROR, system is not insulating.
CHECK_OCCUPATIONS: ERROR, system is not insulating.
CHECK_OCCUPATIONS: ERROR, system is not insulating.
CHECK_OCCUPATIONS: ERROR, system is not insulating.


IP属地:湖北1楼2021-04-26 10:03回复