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- Tue Nov 04, 2025 10:40 pm
- Forum: Running the code
- Topic: Erratic polaron formation energies when using IFCs from SSCHA with lifc = .true.
- Replies: 1
- Views: 660
Erratic polaron formation energies when using IFCs from SSCHA with lifc = .true.
Dear all and EPW developers, we are using IFCs obtained from an SSCHA minimization for our polaron calculations via lifc = .true (EPW 5.9). The electron–phonon matrix elements after running with wannierize = .true. and lifc = .true. look fine. We checked the trace of |g_mn nu|^2 along a high-s ...