It happens again at the second volume ??? And you restarted from the
beginning ??
Are your volume-steps sp large that the extrapolation does not work
anymore ?
In the worst case, you have to activate the x dstart lines and
comment the clmextrapol lines in optimize.job.
On 10/08/2014 11:35 AM, Mh Mi wrote:
Dear Dr.Balaha
Now,I used from reduce RMTs by 5% ,but that problem not fixed*.*
*Ni,Co=2.17a.u. and Ga=2.12a.u.*
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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