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- Wed Jun 18, 2025 2:53 am
- Forum: General discussion
- Topic: Error in routine set_giq (1): problem with minus_q
- Replies: 0
- Views: 275
Error in routine set_giq (1): problem with minus_q
Dear Developers, This error occurs in epw1.out, when I follow the instruction exercise2 in https://docs.epw-code.org/_downloads/162412559797a286a30b1e7f8f7bf0f0/Wed.5.Ponce.pdf Here are my inputs scf.in &CONTROL calculation = 'scf' prefix = 'NbOCl2' outdir = './' pseudo_dir = '/public/home/yanglz/QE ...