[Wien] SOC Error

Lyudmila Dobysheva lyuka17 at mail.ru
Thu Oct 3 09:02:18 CEST 2019


> On 10/2/2019 7:26 AM, Paresh Rout wrote:
>> between SCF calculation (around 9th or 10th cycle) as below.
>> >   lapw2 -up -p   -c -so       (13:21:14) running LAPW2 in parallel mode
>> **  LAPW2 crashed!
Look in the file case.scf2_XX, there can be some info like QTL-B VALUE, 
:WARN at the end.
It is useful also to make this last wrong cycle in not-parallel mode, 
then the diagnostic is a bit clearer.

Best wishes
Lyudmila Dobysheva
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