Dear Prof. Blaha  & Lyudmila Dobysheva

I I have changed manually the struct file (supercell of KTiOPO4) according
to your guidance, But I got Error in DSTART again:

Error in DSTART
 'ROTDEF' - no symmetry operation found.
 'ROTDEF' - for jatom, index   1   2

 'ROTDEF' - atomposition of jatom   0.3745698   0.7784930   0.3455791

 'ROTDEF' - atomposition of index   0.6254302   0.2215070   0.0955791

Please help me

Best Regards,

Marzieh Ghoohestani
PhD Student of Computational Nano Physics
Nano Research Center, Department of Physics
University of Technology, Isfahan, Iran
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