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vaspup2.0
vaspup2.0 PublicForked from kavanase/vaspup2.0
VASP Convergence Testing (for Energy & Dielectric Constants)
Shell
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XAS_tools
XAS_tools PublicA pythonic package for generating VASP input files for XANES simulations.
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surfaxe_revised
surfaxe_revised PublicForked from SMTG-Bham/surfaxe
Dealing with slabs for first principles calculations of surfaces (revised for new Pymatgen)
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