[Wien] Error in DSTART: 'ROTDEF' - no symmetry operation found.

[Marzieh Gh]

Dear Prof.Blaha
*       I am running wien version 13 on a machine of type 8 cores with
operating system Linux version 3.1.0-7.fc16.x86_64 , fortran compiler
ifort and math libraries cc.
*       The purpose of my calculations is to get quantity structure and
optic.
*       I am running supercell of KTiOPO4 using the attachment files but I
got Error in DSTART:



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   0.0955792



I have SEARCHED the archives AND READ THE USERS GUIDE and the FAQ
pages, but I couldn't solve my problem that way.

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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