plotting Density Of States
vakul... at gmail.com
Thu Jul 19 05:29:34 CEST 2012
Dear all cp2k users and developers,
I have a question regarding plotting of DOS obtained from CP2K. When
plotting the data from files containing DOS the plot looks very sharp (like
any spectra obtained from any chemistry packages and in order to make
spectra look nice and more naturally one should smooth them by using
gaussian broadening functions or similar). Could you please tell me if one
needs to smooth obtained DOS with gaussians or similar functions or not?
Thank you in advance,
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