[Wien] SCF stop at scf1 and what is the matter?

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Mon Nov 10 16:20:37 CET 2003



>    SCF of a case stops at scf1 and the error information is as follows(at
lapw1.error):
>
>      \'SELECT\' - no energy limits found for L=1
>      \'SELECT\' - E-bottom   -5.50500   E-top -200.00000
>
>  What is the matter and how to fix it? Thank you for help.

Search in the (old and new) digests of this mailing list: this topic has
been discussed several times before.

Stefaan




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