[Wien] Error in lapw2

hüsnü kara husnukara34 at gmail.com
Wed Mar 2 11:44:19 CET 2016


Dear Wien Users,

I'm trying to do structure optimization for cubic CH3NH3PbI3. The program
was failed in lapw2:

 'FERMI' - EFERMI OUT OF ENERGY RANGE
 'FERMI' - STOP IN EFI
 'FERMI' - ENERGY OF LOWER BOUND                 :
-11.98650
 'FERMI' - NUMBER OF STATES AT THE LOWER BOUND   :
0.00000
 'FERMI' - ENERGY OF UPPER BOUND
:3003.01199
 'FERMI' - NUMBER OF STATES AT THE UPPER BOUND   :
27.00000
 'FERMI' - ADD
27.00000
 'FERMI' - SOS
0.0000.0000.0000.0000.0000.0000.0000.0000.0001.844
 'FERMI' - NOS
**************************************************
**  testerror: Error in Parallel LAPW2


Please, could you help me?

Best wishes,
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