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Ab initio Calculations Using Wien2k Code

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auto_dos: Automatically parse a WIEN2k QTL file to calculate Density of States and XSPEC output.

auto_dos
========

Automatically parse a WIEN2k QTL file to calculate Density of States and XSPEC output.

 auto_dos_new.py Script 0.3

 Originally coded by John McLeod
 2011 03 01

 This script is designed to generate and sum the DOS from all atoms of a given
 type in a structure

 x lawp -qtl MUST have already been run for this script to work

 the directory must be a "proper" w2web directory, i.e. the name of the folder should
 be the same as the <case> for the calculation

 this script requires a command line argument specifying the directory for the calculation
 
To read more click on the link below:
 
https://github.com/jackmaninov/auto_dos 

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