Metadata-Version: 2.2
Name: fp_workflow
Version: 2.2.4
Summary: First priciples workflow and utilities
Author: Krishnaa Vadivel
Author-email: krishnaa.vadivel@yale.edu
Requires: numpy
Requires: scipy
Requires: ase
Requires: dill
Requires: pyyaml
Requires: cython
Description-Content-Type: text/markdown
Dynamic: author
Dynamic: author-email
Dynamic: description
Dynamic: description-content-type
Dynamic: requires
Dynamic: summary

# First-principles workflow

Supported software:
- Quantum Espresso
- BerkeleyGW

Jobs:
- relax
- scf
- dfpt
- phbands
- phdos
- phmodes
- md
- dos
- pdos
- dftelbands
- kpdos
- wannier
- wfn
- epw
- elph
- wfnq
- wfnfi
- wfnqfi
- epsilon
- sigma
- kernel
- absorption
- plotxct
- bseq
- xctph
- esf
