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franch: 金币+5, 1ST强帖+1, 谢谢回帖交流 2013-11-04 01:28:10
???????:
6?: Originally posted by ???????? at 2013-10-27 19:16:09
smearing width=kT??????k??Boltzmann??????????????????????????F-D???????????????δ?????F-D???????????????????????????????????T????0???????????????????????????????T>0????? ...

?? .... ?????@????
?????????????? DOS ?r?????F?? smearing width
?K??????????????? smearing width

?? castep ??W
http://www.tcm.phy.cam.ac.uk/cas ... WebHelp/CASTEP.html
??? --> Search
??????????P?I?? "smearing width"
???????????? smearing width ???P???Y??
??????????????????
CASTEP DOS Analysis Options dialog

?e?????
DOS ???? Gaussian broadening ???????e
smearing width ???ǔ??W?e ??????? ??"????"
???@?????
?ǔ??W???}~?K?????????}

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