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- Tue Mar 10, 2020 4:36 pm
- Forum: General discussion
- Topic: Correctness of SOC
- Replies: 1
- Views: 2402
Re: Correctness of SOC
The action of the symmetry operator on spin space in EPW has been fixed by including the proper SU2 transformation on the spinors. The version of EPW containing this fix is the one found on the Quantum Espresso Foundation (m). However, even without the fix for spin-space, the errors expected for ...