[Pw_forum] cppp.x post processing

Dae Kwang Jun jdaekwang at gmail.com
Tue May 31 12:08:10 CEST 2016


Dear all,

I am not really familiar with the Car Parinello method and I need some
help. I would like to know whether it is possible to obtain the
workfunction or average electrostatic potential with some sort of post
processing (similar as to how it is done with pp.x and average.x). It
appears that the option is not available in cppp.x. However, there is the
option of writev (under namelist WANNIER) which states that the
electrostatic potential can be reconstructed. How can I obtain the
workfunction or average electrostatic potential with writev?


Sincerely,

Dae Kwang Jun
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