[CPMD-list] How to fit plane-wave pseudopotentials for customized functional?

Weiqiao Deng weiqiao at wag.caltech.edu
Thu May 13 23:25:39 CEST 2004


Dear all,

Our group developed a new DFT functional quite similiar to BLYP. I am
trying to write it into CPMD code. I have a question whether there
is a program to fit the plane-wave pseudopotential for customized
functional? I will appreciate it a lot if you can give me some
hints. Thanks in advance.

Regards,
Weiqiao




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