pseudopotentials
There are 19 repositories under pseudopotentials topic.
f-fathurrahman/PWDFT.jl
Plane wave density functional theory using Julia programming language
dalcorso/pslibrary
A library of ultrasoft and PAW pseudopotentials
pipidog/ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
abinit/pseudo_dojo
Python framework for generating and validating pseudo potentials
dceresoli/PStudio
Pseudopotential Studio
SPARC-X/SPMS-psps
SPMS table of pseudopotentials
LaurentNevou/Q_band_ZB
Computes the electronic band structure of Zinc Blende semiconductor
oncvpsp/oncvpsp
The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials
Mostafa-sh/psp-converter
Pseudopotential converter from upf to psp8
cndaqiang/ONCVPSP_LDA
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
aphirst/BandFTN
Bandstructure calculations using the empirical pseudopotential method.
huangli712/APAWlib
Projector Augmented Wave Dataset For Actinides
pierre-24/cp2k-basis
A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations.
jlm785/pseudopotential
Modernized version of a pseudopotential generation code
MineralsCloud/Pseudopotentials.jl
A Julia package that provides operations of a database with pseudopotential datasets
Mostafa-sh/SG15-ONCV-psp8
SG15 pseudopotentials in psp8 converted from the upf files
dceresoli/q-e-d-c
My own devel version of Quantum-Espresso
pranabdas/pseudos
All in one place to find various pseudopotentials.