[Pw_forum] Lowdin charge
Q.J.Wang
wangqj1 at 126.com
Wed Oct 14 05:04:33 CEST 2009
Dear PWSCF users
I want to do Lowdin population analysis .But After I get the pdos,the outfile of pdos only gave the total charge of s ,p ,d orbital respectively . e.g s=2.8945, p=6.8221,d= 5.6231,but the s orbital include 3s and 4s in the USPP.So how can I get the charge of 3s ,4s respectively ?
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Best regards
Q.J.Wang
XiangTan University
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