PDOS in cp2k

Marcella Iannuzzi marci... at gmail.com
Tue Jan 16 15:27:56 UTC 2018

Dear user,

to obtain the total DOS you can just sum up the contributions printed into 
the kind-files.

On Tuesday, January 16, 2018 at 6:15:50 AM UTC+1, Rizwan Nabi wrote:
> Dear All,
> I have got PDOS files from cp2k run and all the atoms are having 
> individual PDOS files and after smearing using scripts *(*pdos.py and 
> get-smearing-pdos.py) by Juan Garcia, smeared PDOS are obtained 
> individually. Now my question is that how can i get total PDOS (one PDOS 
> file showing all the atoms together as well as ALPHA + BETA together)  
> instead getting individually for each atom. Is there any way to do it? I am 
> attaching snapshot of the obtained PDOS files. It looks like something is 
> wrong, as it is not showing both ALPHA and BETA together. Please help me in 
> this regard.
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