[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
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
--
Taojun Zhou (Mr.)
G13, Chong Yuet Ming Physics Building
Semiconductor Physics Lab.
Department of Physics, The University of Hong Kong
Pokfulam Road, Hong Kong SAR, PRC
+852 2859 2358(Tel)
+852 2859 8972(Fax)
More information about the Wien
mailing list