wien2k

There are 12 repositories under wien2k topic.

shahramyalameha/ElATools
ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
Language:Fortran47 1 315
rohkeaID/elk-w90-improved
An interface for ELK-Wannier90 calculations
Language:Fortran16 4 07
rubel75/mstar
Effective mass calculation with DFT
Language:Fortran15 3 04
rubel75/fold2Bloch-Wien2k
Unfolding of first-principle electronic band structure
Language:Fortran13 6 05
harrisonlabollita/w2kplot
Matplotlib wrapper for WIEN2k post-processing
Language:Python10 1 112
leon-venir/mkits
my initial post processing tools for DFT calculations
Language:Python5 1 00
ltegg/optics
Utility scripts for calculating optical properties using WIEN2k
Language:Python4 2 20
aiidaplugins/aiida-wien2k
WIEN2k plug-in for AiiDA workflow management
Language:Python3 3 11
harrisonlabollita/w2kgrep
A grep-like command line tool to quickly grab info from Wien2k scf files.
Language:Python3 1 01
vijaypurohit/wien2k
This provides the files needed and detailed process (instructions) to install the wien2k 14.2 in Linux.
Language:Shell3 1 01
yuntan/w2klab
WIEN2k (and qsub) helper scripts for Python and Jupyter notebook/lab integration.
Language:Python1 2 01
juferafo/w2k_w90_py
WIEN2k and Wannier90 Python Package
Language:Python0 2 00