- USTC, Hefei, Anhui, China
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ab-crystal-library
ab-crystal-library PublicAn offline crystal library, which includes about tens of thousand structure calculated by VASP.
Python 5
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self-consist_concentration_calculation
self-consist_concentration_calculation PublicA self-consist method to calculate all potential defects concentration
Python 1
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VASP_FILE_SETTING
VASP_FILE_SETTING Publicgive some tools to deal with output and input file in VASP, and now is still proceeding
Python
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cluster_embedded_model
cluster_embedded_model PublicA tools to build the cluster embedded model for MOLCAS
Python
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