[Wien] mini problem
swati chaudhury
swati at rcais.res.in
Tue May 19 13:33:13 CEST 2009
Dear all wien users,
will you suggest me how to perform mini calculation to minimize forces in my system? I am working with supercell calculation of AFM hematite. By using diff options like PORT, NEW1 I have got warning massages repeatedly like curvature condition failed, inconsistent forces and energy etc. I have tried several times by changing diff parameters like rkmax,rmt,k-points to overcome the problem.But it does not help anymore upto date.Please help me to solve the problem.
Thanks in advance.
regards.
swati
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