[Wien] LAPW1.ERROR

chahra mef mef.chahra at caramail.com
Wed Jun 9 14:55:01 CEST 2004


Dear users,
 I'am trying to optimize the Al3Li (Do3) structure but calculations stops at zeroth iteration with the error file 
LAPW1.error:

>SELECT- no energy limits found for L=o
>SELECT-  E(Bottom)= -2.47       E(Top))= -200.00
I have check the wien archive but I have't found a suitable answer
 Can someone tell me how to solve this problem please.
Chahra Souad.

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