[CPMD-list] about hessian maatrix
Yong Zhang
zhangymall11 at gmail.com
Sat Sep 16 21:14:22 CEST 2006
Hi
I know that the hessian matrix is included in the restart file, which can be
used for later calulations. I want to use the hessian matrix from a
"geometry optimization" to do some analysis. And (1) how can I extract the
hessian from the restart file and make it "readable" for my own code or (2)
is this information available and accessible easily in other files?
Thanks
Yong
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