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[Feature Request]: Add an option to write out the electronic energy vs. volume data in QHACalc #231

@Andrew-S-Rosen

Description

@Andrew-S-Rosen

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Problem

In QHACalc, we produce electronic energy vs. volume data as part of the QHA procedure. We should optionally write this out as an e-v.dat file. This would allow the user to reconstruct/update the QHA analysis via the qha-phonopy command-line utility without having to do any new MLIP calculations, as done here. We already have an option to write out the thermal property YAMLs.

Proposed Solution

Add an optional I/O flag to write out an e-v.dat file that is a plaintext file of the following format:

#   cell volume (A^3)  energy of cell (eV)
     140.030000           -42.132246
     144.500000           -42.600974
     149.060000           -42.949142
     153.720000           -43.188162
     158.470000           -43.326751
     163.320000           -43.375124
     168.270000           -43.339884
     173.320000           -43.230619
     178.470000           -43.054343
     183.720000           -42.817825
     189.070000           -42.527932

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