[Wien] unexpected error in SOC calculations for non spin-polarized case
tarek
hammad_tarek at hotmail.com
Sat Sep 5 18:46:21 CEST 2020
Dear Wien2k useres / team
I ran scf calculations for non spin-polarized case using wien2k_14.2
under linux.
I followed exactly the steps predicted on youtube for Prof. Oleg Rubel
but for unclear reason the scf with -so switch were crushed!!!! and
give me this message:
/usr/local/mpich-1.2.7/bin/mpichversion/hup: Not a directory.
LAPW0 END
LAPW1 END
forrtl: severe (59): list-directed I/O syntax error, unit 5, file
/home/tarek/TiC/TiC.inso
Image PC Routine Line Source
lapwso 0000000000454FE8 Unknown Unknown Unknown
lapwso 0000000000479641 Unknown Unknown Unknown
lapwso 000000000041E9C1 init_ 75 init.F
lapwso 0000000000424392 MAIN__ 185 lapwso.F
lapwso 0000000000403CDE Unknown Unknown Unknown
libc.so.6 00002B5857A82F45 Unknown Unknown Unknown
lapwso 0000000000403BE9 Unknown Unknown Unknown
> stop error
I have tried to solve this problem by all means but no way.
Would you please help me.
Thanks in advance
Yours sincerely
Tarek Hammad.
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