J. George

Results 3 repositories owned by J. George

IR

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Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP

LobsterPy

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Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry

Advanced_Jobflow_Tutorial

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This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational materials science