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CRYSTALClear

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

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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
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Introduction and Installation Guide
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CRYSTALClear

Electronic Structure Bugs in CRYSTALClear

Introduction and Installation Guide