New feature: Bulk Photovoltaic Effect (BPVE) Calculation#172
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quanshengwu merged 2 commits intoquanshengwu:masterfrom May 27, 2025
Merged
New feature: Bulk Photovoltaic Effect (BPVE) Calculation#172quanshengwu merged 2 commits intoquanshengwu:masterfrom
quanshengwu merged 2 commits intoquanshengwu:masterfrom
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Your branch is up to date with 'origin/2025-BPVE'. Changes to be committed: renamed: bin/wt2.x -> bin/wt-2025.x modified: src/Makefile modified: src/ham_bulk.f90 modified: src/main.f90 modified: src/module.f90 new file: src/optic.f90 modified: src/readinput.f90 new file: src/wt-2025.x
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New feature: Bulk Photovoltaic Effect (BPVE) Calculation
Tag: BPVE_calc
Relevant Parameters:
FreqNum,FreqMin,FreqMax,eta_smr_fixedDescriptions: This module implements the frequency-dependent bulk photovoltaic effect (BPVE) tensor, including both shift current and injection current contributions. The calculation iterates over all k-points and photon frequencies in the range specified by
FreqNum,FreqMin, andFreqMax. The spread of the delta function here is determined byeta_smr_fixed