[Wien] mixer error with gfortran

[Md. Fhokrul Islam]

Hi Wien2k users,


I am trying to do TiC calculation as mentioned in the userguide with Wien2k compiled with gfortran.

It works fine without spin-orbit (SO) coupling but if I add SO it crashes in the 1st cycle with 'mixer error'.


error: command   /bionano2/Wien2k14.2/mixer mixer.def   failed


There is no other error message or error file. However, if I do the same TiC calculation in another

machine with an intel compiled Wien2k, this problem does not arise. So I am not sure why there

is a mixer error with gfortran for TiC when I do spin-orbit calculation.


I tried another test calculation with GaAs but this one works fine with gfortran.


Any suggestion will be appreciated.



Thanks,

Fhokrul



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