GitHub - xiangzhang1-ustc/charge: Bash-based VASP population analysis.

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Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
wrapper		wrapper
License		License
README		README
charge		charge
gen.conf.check		gen.conf.check
gen.conf.cust		gen.conf.cust
gen.conf.kwban		gen.conf.kwban
gen.conf.kwnullify		gen.conf.kwnullify
gen.conf.modules		gen.conf.modules
gen.conf.opt_mand_modules		gen.conf.opt_mand_modules
gen.conf.othercust		gen.conf.othercust
gen.conf.postcheck		gen.conf.postcheck
gen.md		gen.md
gen.source.electrons		gen.source.electrons
gen.source.fromto		gen.source.fromto
gen.source.outcar_mag_no		gen.source.outcar_mag_no
gen.source.output		gen.source.output
gen.source.poscar		gen.source.poscar
gen.source.trace		gen.source.trace
gen_design.vsdx		gen_design.vsdx

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README: I think this is outdated compared to post.

# Justification for 

# Usage
charge [-tex/-normal] [-vaspkit/-splitdos] [-spin/-nonspin]. Default is -normal -splitdos -spin.
-tex produces .tex tabular output. -vaspkit uses vaspkit to get integrated pdos, while -splitdos uses vtstscripts/split\_dos and Python to integrate it.

# Features
occupancy of s,px,dx2-y2... orbitals (requires: vaspkit || split\_dos & numpy ; lm-DOSCAR and POSCAR)
Bader/RWIGS charge (requires: bader ; CHGCAR )
greps energy
supports non-spin-polarized (-nonspin) calculation, supports TeX tabular+math output

# History
Written Xiang Zhang 02/Aug/2015
Modified Xiang Zhang 17/Aug/2015: Reformatted options, added splitdos approach due to vaspkit bugs.
Modified Xiang Zhang 05/23/2016: Reformatted options with module-based charge paradigm.

# Dependency
pot, split\_dos in PATH