[Pw_forum] diagonalization ZHEGV

mayank gupta mayankaditya at gmail.com
Mon Aug 2 08:04:11 CEST 2010


Dear QE users

I am new in this fiel. I am doing calculation for ZrO2. during the scf
calculation i get erro like "diagonalization ZHEGV failed . ihave
check my structure it is correct. I have aslo read the manual and try
all possible thing suggetsted in manual can any body tell me how to
resolve the problem.

-- 
Mayank kumar gupta
Contact No- 9869834437
                  8097400037
                 8080458227



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