Materials Theory and Design Group
- 34 followers
- Evanston, IL USA
- https://mtd.mccormick.northwestern.edu/
Popular repositories Loading
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Fermi-Surface
Fermi-Surface PublicVASP subtool to draw Fermi-Surface; creates input file for Xcrysden
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Job-Scripts
Job-Scripts PublicScripts for submitting VASP calculations to Quest, Carbon, and Stampede supercomputers.
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Self-Consistent-Quasiharmonic-Approximation-Method
Self-Consistent-Quasiharmonic-Approximation-Method PublicAn efficient ab-initio quasiharmonic method for thermodynamic properties of solids
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phonon_bandplot
phonon_bandplot PublicThis script would fix the band ordering problem in phonopy-bandplot.
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VASP-Structural_Descriptors
VASP-Structural_Descriptors PublicForked from shin-materials/VASP-Structural_Descriptors
Pymatgen-based script to collect structural descriptors from many atomic structures.
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BondValenceGraphs
BondValenceGraphs PublicBasic scripts for constructing bond valence network representations of crystal structures and visualizing them
Repositories
Showing 10 of 43 repositories
- Molecular_Qubit_Dataset Public
MTD-group/Molecular_Qubit_Dataset’s past year of commit activity - MCC_electric_field_sensing Public
MTD-group/MCC_electric_field_sensing’s past year of commit activity - sim_util_scripts Public
Handy scripts: CIF <=> POSCAR conversion, find primitive cell, find SG across precision
MTD-group/sim_util_scripts’s past year of commit activity - CuPc_spin_relaxation Public
MTD-group/CuPc_spin_relaxation’s past year of commit activity - Magnetostatic-Model-CrI3 Public
MTD-group/Magnetostatic-Model-CrI3’s past year of commit activity - Printable-Atoms Public
MTD-group/Printable-Atoms’s past year of commit activity