[Wien] error in SCF calculation

Paresh Chandra Rout pareshchandra at iiserb.ac.in
Thu Sep 22 14:50:00 CEST 2016


Dear w2k users and developers,

I am facing an error as follows

error: command   WIEN2k_14.2_TGZ/mixer mixer.def   failed

>   stop error

I did not encounter this error before. All my calculation was running fine
with this version of wien2k . I tried to run single point calculation on
three
different system, but in all cases I am getting the same error as above
just after the scf cycle-3. I have attached my  case.dayfile for different
system. Any help to resolve this issue would be highly appreciated .

Kind Regards,
Paresh Chandra Rout
Research Scholar
Indian institute of Science Education and Research Bhopal
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