Topic: "pseudopotentials"
f-fathurrahman/PWDFT.jl
Plane wave density functional theory using Julia programming language
Language: Julia - Size: 55 MB - Last synced at: 27 days ago - Pushed at: 27 days ago - Stars: 117 - Forks: 23
dalcorso/pslibrary
A library of ultrasoft and PAW pseudopotentials
Language: Shell - Size: 320 KB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 66 - Forks: 16
pipidog/ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
Language: Python - Size: 21.6 MB - Last synced at: over 1 year ago - Pushed at: over 5 years ago - Stars: 56 - Forks: 43
abinit/pseudo_dojo
Python framework for generating and validating pseudo potentials
Language: HTML - Size: 1.14 GB - Last synced at: 28 days ago - Pushed at: over 1 year ago - Stars: 42 - Forks: 36
SPARC-X/SPMS-psps
SPMS table of pseudopotentials
Size: 32.9 MB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 17 - Forks: 4
oncvpsp/oncvpsp
The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials
Language: Fortran - Size: 5.76 MB - Last synced at: 11 months ago - Pushed at: 11 months ago - Stars: 12 - Forks: 8
LaurentNevou/Q_band_ZB
Computes the electronic band structure of Zinc Blende semiconductor
Language: MATLAB - Size: 4.12 MB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 12 - Forks: 2
dceresoli/PStudio
Pseudopotential Studio
Language: Jupyter Notebook - Size: 20 MB - Last synced at: about 2 years ago - Pushed at: about 4 years ago - Stars: 12 - Forks: 3
Mostafa-sh/psp-converter
Pseudopotential converter from upf to psp8
Language: Python - Size: 13.7 KB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 8 - Forks: 0
aphirst/BandFTN
Bandstructure calculations using the empirical pseudopotential method.
Language: FORTRAN - Size: 42 KB - Last synced at: 1 day ago - Pushed at: about 9 years ago - Stars: 5 - Forks: 3
jlm785/pseudopotential
Modernized version of a pseudopotential generation code
Language: Fortran - Size: 451 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 4 - Forks: 2
huangli712/APAWlib
Projector augmented wave dataset for the actinides
Language: Python - Size: 68 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 3 - Forks: 1
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.
Language: Python - Size: 11.1 MB - Last synced at: 16 days ago - Pushed at: 9 months ago - Stars: 3 - Forks: 1
MineralsCloud/Pseudopotentials.jl
A Julia package that provides operations of a database with pseudopotential datasets
Language: Julia - Size: 621 KB - Last synced at: 16 days ago - Pushed at: almost 3 years ago - Stars: 1 - Forks: 0
cndaqiang/ONCVPSP_LDA Fork of pipidog/ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
Language: Python - Size: 116 MB - Last synced at: about 2 years ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 2
arkavo/Band-Optimizer
Language: Gnuplot - Size: 139 MB - Last synced at: almost 2 years ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 0
pranabdas/pseudos
All in one place to find various pseudopotentials.
Language: TypeScript - Size: 289 MB - Last synced at: 3 days ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0
AgungDanuWijaya/jDFT
jDFT: JAVA Density Functional Theory For Solid
Language: Java - Size: 15.6 MB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0
Mostafa-sh/SG15-ONCV-psp8
SG15 pseudopotentials in psp8 converted from the upf files
Size: 3.9 MB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 2
dceresoli/q-e-d-c
My own devel version of Quantum-Espresso
Language: Fortran - Size: 528 MB - Last synced at: about 2 years ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 0