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jpchou

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???????:
10?: Originally posted by dxcharlary at 2015-04-29 16:30:09
????????????????????????????????????
??????????????????????10A~15A????????????С?????????????...

??~ ??????_?
??????????~ ???Y?? CONTCAR ???????????
VASP ????^?m?sС vacuum
????????????~ ???? vacuum ??????????

?????ǜy surface system?????^???X???@??????????l???? graphene ??
????????????"??????????" ????
????????????Щ????????{???Щ????_???????? ???????????r
11楼2015-04-29 21:26:39
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dxcharlary

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???????:
11?: Originally posted by jpchou at 2015-04-29 21:26:39
??~ ??????_?
??????????~ ???Y?? CONTCAR ???????????
VASP ????^?m?sС vacuum
????????????~ ???? vacuum ??????????

?????ǜy surface system?????^???X???@??????????l???? graphen ...

???????????????????????????
???????????CHGCAR??WAVECAR????????CONTCAR????????????????????
12楼2015-04-29 22:13:28
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jpchou

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12楼: Originally posted by dxcharlary at 2015-04-29 22:13:28
不可能,还是你的参数设置有问题。
另外如果你记录CHGCAR和WAVECAR的话,你把CONTCAR拿来一遍也还是只有一步。...

你試過?
13楼2015-04-29 23:04:14
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