[QE-users] Sub Orbital Order in PDOS

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Tue Oct 19 12:43:08 CEST 2021


Yes, there is.
Look at the end of this file:
your-QE-6.8/PP/Doc/INPUT_PROJWFC.txt
HTH
Giuseppe

Quoting Satyasiban Dash ph19d005 <ph19d005 at smail.iitm.ac.in>:

> Dear Users
> I used qe 6.8 to calculate projwf and pdos contain data for each indivisual
> orbital and total density of state for that prticular orbital.
> Now is there any way to distinguish sub oorbital like px,py,pz from those
> coloums.
>
> Thank You.
>
>
> Satya
> Research Scholar
> IIT Madras



GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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