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docstring fro init_dmftpr

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harrisonlabollita 2021-11-16 06:59:32 -07:00
parent b16374be5f
commit b15e9bef03
1 changed files with 8 additions and 0 deletions
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8
bin/init_dmftpr.in
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@ -3,6 +3,14 @@ import glob, sys, os
from numpy import array
def write_indmftpr():
"""
Usage: init_dmftpr
**case.struct file is required for this script.**
An interactive script to generate the input file (case.indmftpr) for
the dmftproj program.
"""
orbitals = {"s" : [1, 0, 0, 0],
"p" : [0, 1, 0, 0],
"d" : [0, 0, 1, 0],