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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