band stracture and PDOS calculations for the periodic systems
ales... at gmail.com
Wed Apr 2 17:16:30 CEST 2014
I am a biginner in CP2K.
The question is quite general: is there possibility to calculate the band
stracture for different k-points and PDOS for the periodic systems?
Something like as in Quantum Espresso or Abinit.
I tried to find the options for these in tutorial, in test-examples, in
internet but I did not find.
Ok, for PDOS there is option, but this is not that PDOS which I would like
to have. I need PDOS vs energy, while CP2K gives me PDOS vs orbital.
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