[Wien] linear energy of Re

[翠玉 耿]

Dear prof. Blaha:
        Thank you very much for your kind help. When I see *.scf gives "E( 2)=    0.3000   E(BOTTOM)=   -0.070   E(TOP)= -200.000", I think this is an indication for the "bad" linear energy. Now I understand it is a very normal output, I shouldn't worry about it. As you suggested, I will use the usual command run_lapw. Thanks again.
Best regards





---------------------------------
Do You Yahoo!?
暑期大片齐聚雅虎通 网络摄像头+雅虎通调频收音机等你来拿
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20030814/3f8ea257/attachment.html