QE

By sAimen94

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  • projwfc.x PDOS calculations on EuTiO3
    1 project | /r/QuantumEspresso | 14 May 2022
    I need some quick help making sense of all the output data I got from my PDOS calculation on EuTiO3 (Pm3m cubic). I've run the scf, nscf, bands, and dos/pdos claculations (I've just uploaded them quickly on github for you to see: https://github.com/sAimen94/QE). My questions are how to interpret the EuTiO3_pdos.dat.pdos_atm#... files.

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about 3 years ago

The primary programming language of QE is Gnuplot.


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