[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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