SCF potential in Born effective Charge

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simba2828
Posts: 63
Joined: Tue Mar 07, 2023 4:19 pm
Affiliation: IIT Kharagpur

SCF potential in Born effective Charge

Post by simba2828 »

Dear developers and Experts,

Is it possible to collect/extract the dV_scf/du term as shown in the picture attached using QE/EPW? This is a formula for calculating the Born effective charge. I am sure this data (dV_scf) is stored somewhere (most probably in the binary files *.dvscf). If someone knows how can I collect this data, if there is any utility in EPW or QE please let me know. I would really appreciate the help.

Thank you very much.

Sincerely,
Shubham
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