Absoprtion Spectra

Total energy, geometry optimization, DFT+U, spin....

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lvmui
Posts: 5
Joined: Wed Apr 16, 2014 10:59 am

Absoprtion Spectra

Post by lvmui » Thu Oct 02, 2014 6:59 am

Dear All,

Now I am calculating the absorption spectrum for solid crystal,
I followed the tutorial in the main site,

But I got the error: Subroutine Unknown:0:ERROR
Opening file: filenames_KSS as old

In structure for running
there are pseudo potential + .files + input file+ commandline
Do I miss other?

Please give some hints for that.

Thank you very much
lvmui

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