band stracture and PDOS calculations for the periodic systems

Alesster ales... at
Wed Apr 2 17:16:30 CEST 2014

Dear ALL,

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. 

Thank you
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list