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<DIV>Dear prof Blaha:</DIV>
<DIV> There is Ni and Al in my structure. I input 200 k-points with a 0.02 mixing factor.</DIV>
<DIV> <SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">In file *.scf_mini, the forces on some atoms seems more larger, while the forces on the other atoms seems changed sign and the absolute value is large too. Does this means I should put different DELTA on atoms in *.inM file?</SPAN></DIV>
<DIV><SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"> I attach the struct file in the attachment.<SPAN lang=EN-US style="LINE-HEIGHT: 130%; mso-bidi-font-size: 10.5pt">I'm looking forward for your suggestion. Any comment is welcome.</SPAN></SPAN></DIV>
<DIV><SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"><SPAN lang=EN-US style="LINE-HEIGHT: 130%; mso-bidi-font-size: 10.5pt">Best regards</SPAN></SPAN></DIV>
<DIV><SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"></SPAN> </DIV></DIV></DIV><p><br><hr size=1><b>Do You Yahoo!?</b><br>
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