[Wien] linear energy of Re

翠玉 耿 cygeng77 at yahoo.com.cn
Thu Aug 14 04:24:07 CEST 2003


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





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