[Wien] afm calculation - error in LAPW1 - during SCF cycle of AFM Calculation

Lyudmila Dobysheva lyuka17 at mail.ru
Tue Sep 29 10:52:07 CEST 2015


28.09.2015 19:45, Krishnaveni. S wrote:
> Error in LAPW1
>   'SELECT' - no energy limits found for atom   1  L= 1
>   'SELECT' - E-bottom   -5.18127   E-top -200.00000
>   Can some one suggest what I should be doing in this case please?

You should make a search in the mailing archive of WIEN2k with the key 
words: 'SELECT' - no energy limits found for atom;
carefully read the discussions;
try to solve your problem yourself;
if you fail - write a letter with much more information. Attentive 
reading the discussions will suggest you which information is necessary 
for solving the problem.

Best wishes
   Lyudmila Dobysheva
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