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jpchou

专家顾问 (著名写手)

???????:
10?: Originally posted by jx??·?? at 2016-04-13 20:37:45
???????????л??????????λ?PARCHG,?е?С???лл????????????????????????????? ?????????????????????????????OUTCAR????????????
    220      -0.8522      1.00000
    ...

?????? -0.64 ???? -0.7 ~ -0.6 ??g?]?e
??~ ????X?? VASP ???@????????e
????????z???????? input and output files

1. ?_????o?? WAVECAR ?????_?? (???нo WAVECAR ? VASP ?x~ ?????)
2. ?????? -0.7 ~ -0.6 ?@???A????~ ??????? -0.8 ~ 1.3 ?????
    VASP ?????????Щ?Y???????????????
11楼2016-04-13 20:59:36
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jx在路上

金虫 (著名写手)

???????:
11?: Originally posted by jpchou at 2016-04-13 20:59:36
?????? -0.64 ???? -0.7 ~ -0.6 ??g?]?e
??~ ????X?? VASP ???@????????e
????????z???????? input and output files

1. ?_????o?? WAVECAR ?????_?? (???нo WAVECAR ? VASP ?x~ ?????)
2. ???? ...

лл????? ????Χ????????? ????PARCHG??? ???????????HOMO???????PARCHG ??????????Χ?????? ????????HOMO??PARCHG?? лл???????
12楼2016-04-13 21:39:38
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