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The attached struct file looks completely wrong.
atom 29 Z=0 ??
The sphere sizes (and probably the distances between atoms) are all impossible.
Am 20.06.2011 07:18, schrieb leila moazzami:
Dear Peter Blaha ,WIEN users
I did all part of *_initialize calc _*with *Rk*max=2.7 and *KPt=15
at yahoo.com
Web : www.gcuf.edu.pk/
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in overcoming this problem in
runningnbsp;OPTIC.nbsp;Thanking you in advance.Banu
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Hard to say anything.
Your description looks perfectly ok and if in these steps no error occurred, it
should be ok.
Check the details of the error in lapw2, maybe this helps further.
Am 21.06.2011 13:52, schrieb SHAMEEM BANU:
Dear WIEN2k users,
I am using WIEN2k version 8. I am going to
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