Search found 2 matches
- Mon Jan 26, 2026 10:32 pm
- Forum: General discussion
- Topic: Real part of g is larger than |g| and |g_sym| in DFPT calculation?
- Replies: 1
- Views: 56579
Re: Real part of g is larger than |g| and |g_sym| in DFPT calculation?
Hi Jack, Thanks for reporting the issue. As you noticed, the newly added entries |g|, Re(g), and Im(g) are provided only as additional information about the electron–phonon coupling. The current |g_sym| corresponds to the symmetrized |g| that was reported previously; see the discussion here: https:/ ...
- Mon Jan 26, 2026 10:25 pm
- Forum: General discussion
- Topic: Question on the physical meaning of |g_sym| and |g| in QE 7.5 electron–phonon matrix elements
- Replies: 1
- Views: 32666
Re: Question on the physical meaning of |g_sym| and |g| in QE 7.5 electron–phonon matrix elements
Hi Neal, Thanks for the question. Of these four entries, "|g_sym|" is the quantity that corresponds to the |g| printed in older verions of PH and EPW: it is obtained by symmetrizing (algebraically averaging) over degenerate electronic states and phonon modes, as you noticed. Unless you have a ...