https://github.com/romerogroup/pyprocar
Tip revision: 205b2c2f6ccb87db4a9a6ec9635357a995ed756e authored by Uthpala Herath on 28 February 2020, 03:48:18 UTC
Renormalize alpha values in band unfolder for values > 1
Renormalize alpha values in band unfolder for values > 1
Tip revision: 205b2c2
scriptAbinitMerge.py
import re
import os
import glob
def mergeabinit(outfile):
""" This module merges PROCAR files generated from multiple
Abinit calculations.
"""
filenames = sorted(glob.glob("PROCAR_*"))
with open(outfile, 'w') as outfile:
for fname in filenames:
with open(fname) as infile:
for line in infile:
outfile.write(line)