PYXAID code execution using VASP (step 2)

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Yoonhoo Ha

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Oct 12, 2019, 6:59:44 AM10/12/19
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Dear PYXAID users,

I have a question about how to run PYXAID code using VASP. In step 2 of PYXAID with VASP, will the hamiltonian and NAC calculations also be performed using VASP? I have converted the MD trajectory of VASP to each QE input file using the xdatcar2inp module, but I want to know how to use VASP program for the calculation of NAC and Hamiltonian.

Best regards,
Yoonhoo Ha
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