[Wien] A strange problem happened in coordinate optimiaztion

[王家奎]

Dear Wien2K users,

I am calculating some doped samples with VCA based on wien2K. I have the
internal coordinates for the pure samples, for the doped samples, I just
used the mini_lapw to obtain the coordinates with lowest energy. The lattice
parameters are known from experiments, and the minimization was done in
in-plane checkerboard antiferromagnetic configuration.

After minimization, there is a very strange problem, the structure file
obtained can not initialize in the same checkerboard antiferromagnetic
configuration. The x lstart fails with nstop error, I can't suppress the
error by changing the atomic configurations in case.inst file. However, it
could initialize in other magnetic configurations, like ferromagnetic
configuration and in-plane stripe antiferromagnetic configuration.

This problem is a great headache for me, any suggestions?

Thanks!

Jiakui Wang
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