[CP2K:5328] Re: plotting PDOS

[Marco Olguin]

Hey Mohamed,

Sorry I didn't get back to you sooner-  a lot of things came up at once and
things got really busy. I think that you need to add the NLUMO keyword to
the PDOS section of your input file. Try something like the following and
see if it works:

  &PRINT
    &PDOS
      COMPONENTS
      FILENAME ./PDOS_OUTPUT
      NLUMO 200
    &END PDOS
  &END PRINT

Regards,
Marco


On Tue, May 13, 2014 at 5:59 AM, mohamed khuili <khuili... at gmail.com>wrote:

>
> I have a question regarding plotting of PDOS obtained from CP2K. When
>>> plotting the data from files containing PDOS the plot looks very sharp. Is
>>> There a code to make spectra look nice, more naturally  and smooth ?
>>>
>>> Thank you in advance,
>>>
>>> Mohamed
>>>
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