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<DIV><FONT face=Arial size=2>Dear Dr Blaha,</FONT></DIV>
<DIV><FONT face=Arial size=2>I am sorry to have to trouble you with my problem.
I have not received any suggestions to two mails that I sent to this mailing
list. Perhaps you would know the answer. The problem is as follows
:</FONT></FONT></DIV></DIV>
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<DIV><FONT face=Arial size=2> </FONT><FONT face=Arial size=2>I am trying
to run init_phonon_lapw with a supercell (2x2x2) of cubic SiC constructed with
Phonon. I transferred the .d45 file to Wien2k and ran init_phonon-lapw and got
the error message :</DIV>
<DIV><FONT face=Arial size=2>Mult not equal Please check outputnn</FONT></DIV>
<DIV><FONT face=Arial size=2>ityp not equal Please check outputnn</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>In Phonon I used 'Number of non-equivalent
displacive particles" = 2 and 'Number of non-equivalent elastic particles"
= 0, Cell dimensions were the minimum obtained from
Wien2k volume optimisation, displacement for HF forces + 0.025
Ang. </FONT></DIV>
<DIV><FONT face=Arial size=2>Can anybody please suggest how I could correct
this.</FONT></DIV>
<DIV><FONT face=Arial size=2>Thank you in advance,</FONT></DIV>
<DIV><FONT face=Arial size=2>Chandrika</FONT></DIV></FONT>
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