Band structure calculation with external periodic potential
NGastaPooh
roma... at gmail.com
Thu Jun 28 22:17:32 UTC 2018
Dear All,
I need to utilize the ability of CP2K to subject the electrons to an
externally imposed electric
field but am not sure as to exactly how this is implemented in the code. I
would greatly appreciate
it, if anyone could provide me with some details or direct me to the
sub-routine that accounts for the external potential implementation.
I also have a separate question: what are the energy units in
BAND_STRUCTURE routine output file?
Thank you in advance.
Best regards,
Roman Dmitriev
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