[Pw_forum] S matrix not positive definite

chaitanya varma chvar81 at yahoo.co.in
Wed Aug 19 17:51:32 CEST 2015


Dear sir,I am trying to work on Ni-Zn ferrite regarding magnetic moment and band structure and DOS
i used .cif file for writing atomic positions and wrote input filewhen i tried to run the code it is giving the following error



     Error in routine cdiaghg (348):
     S matrix not positive definite
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...
i am attaching the input and output files for your kind reference.
can anyone tell me where i did wrong?Thanks in advancewith kind regards

Chaitanya Varma M  Assistant professorDepartment of PhysicsGITGITAM UniversityVisakhapatnamIndia
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