<DIV>Dear prof. Blaha:</DIV>
<DIV> Thank you very much for your kind help. When I see *.scf gives "<SPAN lang=EN-US style="FONT-SIZE: 9pt; FONT-FAMILY: 'Arial Unicode MS'; LETTER-SPACING: 0pt; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">E( 2)=<SPAN style="mso-spacerun: yes"> </SPAN>0.3000<SPAN style="mso-spacerun: yes"> </SPAN>E(BOTTOM)=<SPAN style="mso-spacerun: yes"> </SPAN>-0.070<SPAN style="mso-spacerun: yes"> </SPAN>E(TOP)= -200.000</SPAN>", I think this is an indication for the "bad" linear energy. Now I understand it is <SPAN lang=EN-US style="FONT-SIZE: 9pt; FONT-FAMILY: 'Arial Unicode MS'; LETTER-SPACING: 0pt; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">a very normal output, I shouldn't worry about it. As you suggested, I will use the usual command run_lapw. Thanks again.</SPAN>!
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<DIV><SPAN lang=EN-US style="FONT-SIZE: 9pt; FONT-FAMILY: 'Arial Unicode MS'; LETTER-SPACING: 0pt; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">Best regards</SPAN><BR><BR></DIV><p><br><hr size=1><b>Do You Yahoo!?</b><br>
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