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JDFTx
1.7.0
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- CD : Compute circular dichroism (CD) from DFT outputs
- createVASP : Create a VASP CHGCAR file from a JDFTx output file
- createXSF : Create an XcrySDen Structure File from a JDFTx output file
- dryRunToPDB : Create a PDB file from a JDFTx dry run
- epsilon : Compute dielectric tensor (epsilon) from DFT outputs