[Wien] a question about the case.vns

Zhou Taojun tjzhou at bohr.physics.hku.hk
Tue Sep 7 03:46:04 CEST 2004


Please answer my question.

On Mon, 6 Sep 2004 17:21:33 +0800 (HKT), Taojun Zhou 
<tjzhou at bohr.physics.hku.hk> wrote:
> Dear All,
02 When I read the code of lapw0.F, I found the program outputs to
> the file case.vns, non-sphere potential, with the conjugate of
cvalue(line
> 1284), which is defined as the xc energy in interstitial(line 1142). I
> don't understand why it don't output potential but energy in
interstitial
> , and obviously potential inside MT sphere. Please tell me the lapw1
> program how to deal with this potential. Thank you very much.
> 
> Sincerely,
> Taojun
> 
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Taojun Zhou (Mr.)

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