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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