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CRYSTALClear

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A Python framework designed to streamline the analysis of solid-state simulations performed with CRYSTAL

Electronic Structure Bugs in CRYSTALClear
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Hi @QMQDCHEM , Could you share your BAND.DAT file so that I can do some quick test? Thanks
Introduction and Installation Guide
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CRYSTALClear

Electronic Structure Bugs in CRYSTALClear

Introduction and Installation Guide