[Wien] a question about the case.vns
Zhou Taojun
tjzhou at bohr.physics.hku.hk
Mon Sep 6 11:21:33 CEST 2004
Dear All,
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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