Dear Samuel,
Thanks for your reply!
Best regards,
Vlad
Search found 2 matches
- Mon Jan 22, 2024 1:56 am
- Forum: General discussion
- Topic: Why do we need to run self-consistent calculation twice?
- Replies: 2
- Views: 6510
- Thu Jan 18, 2024 7:07 am
- Forum: General discussion
- Topic: Why do we need to run self-consistent calculation twice?
- Replies: 2
- Views: 6510
Why do we need to run self-consistent calculation twice?
I am new to EPW, reading the tutorials, and what I noticed is that self-consistent calculations are run twice: 1) Before calculating phonons in the phonons directory 2) After calculating phonons in the epw directory, to which we copy files calculated in the phonons directory using pp.py Why should w...