[Wien] LAPW1.ERROR

[Javad Hashemifar]

> >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.

Dear Chahra Souad.
This error means that lapw1 can not find a suitable energy value for the local
orbital L=0. It might be better to change the STOP switches in case.in1 to CONT
and instead of it use the switch in1new in your calculation (for example in1new
-5). in page 155 of the UG you can find some hints about this error.
Best regards,
Javad Hashemifar

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Javad Hashemifar                                      phone : ++49-30-8413 4804
Permanent : Physics Department, Isfahan University of Technology, Isfahan, Iran
Current : Fritz-Haber-Institut der MPG, Faradayweg 4-6, D-14195 Berlin, Germany
e-mails:  hashemi at fhi-berlin.mpg.de          &          hashemifar at ph.iut.ac.ir
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