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Popular repositories

  1. poscar2xsf poscar2xsf Public

    Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)

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  2. empirical_thermal_conductivity empirical_thermal_conductivity Public

    Estimate the thermal conductivity using empirical models

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  3. tools4vasp tools4vasp Public

    some tools for post-processing VASP output files.

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    Collection of some analytical bond order potentials ( listed in the LAMMPS format) from literature

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  5. band_emc band_emc Public

    Post-process the VASP output files to obtain the Fermi surface, (fat) band structures, and effective mass.

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    Broaden the XAS spectra simulated by CP2K.

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