[Pw_forum] Error in routine cdiaghg S matrix not positive definite

[Sonu Kumar]

Hi,

In your output, i noticed

     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1 1 0 0 0)
>

i think it should be (1100) not (11000)?


regards,
sk
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S. Kumar
Phd Student,Physics Department
Indian Institute of Technology ,Delhi-110016, India
web:-http://www.iitd.ac.in/
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