[Wien] Fe and Ni volume optimization

[shamik chakrabarti]

Dear Wien2k users,

                                     I want to do volume optimization for Fe
and Ni. I have taken spin polarization for both the cases and started volume
optimization with changing volume by -5%, -3%, 0%, 3% and 5% (with respect
expt. volume).  After calculation of scf for -5% structure when it started
scf for  -3%  structure  it shows  error  in  the first cycle as  "error
in  LAPW0" and would not run further.  This  happen for  both  the cases.
Now when I  removed spin polarization and calculates volume optimization
without taking into account this spin polarization it was able to calculate
the scf for all the structures. But only with spin polarization it was
showing error for the 2nd structure. Any help in this regard will be
appreciated. Thanks in advance.

with regards,
Shamik Chakrabarti
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