<DIV>
<DIV>
<DIV>Dir Sir:</DIV>
<DIV> <EM> </EM><SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New Roman'; mso-bidi-font-size: 12.0pt; mso-fareast-font-family: ËÎÌå; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">I'm running a minimization of atomic positions within a 28-atom in supercell. I used -fc 1.0 for run_lapw and force tolerance 2.0 for PORT.After several struct changes, </SPAN> An error in lapw0 appears,</DIV>
<DIV>the error message as follows:</DIV>
<DIV>error in lapw0</DIV>
<DIV>ROTDEF no symmetry operation found <BR>ROTDEF 11 25 <BR>ROTDEF POS(JATOM)=0.250001 0.000000 0.7500000 <BR>ROTDEF POS(JATOM)=0.249999 1.0000000 0.0000000 </DIV>
<DIV><SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New Roman'; mso-bidi-font-size: 12.0pt; mso-fareast-font-family: ËÎÌå; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">Does anyone know what happened to my optimization?<SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New Roman'; mso-bidi-font-size: 12.0pt; mso-fareast-font-family: ËÎÌå; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">What steps should I take?</SPAN></SPAN></DIV></DIV></DIV><p>
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