Commit Graph

4 Commits

Author SHA1 Message Date
Samuel Ponce f48860d1b1 Various fixes
- Debug dfnk bug (only affect ibte not SERTA).
- Take eig wrt to Fermi level
- Missing spin factors
- Update mobility benchmark (values almost the same but population much closer to 0 as it should be).
2019-03-25 11:37:08 +00:00
Samuel Ponce 92d7ce5df2 Update mobility output format.
Also add transpose (sr) when symmetry is used.
2019-02-04 17:40:27 +00:00
Samuel Ponce 869f8a5295 Cumulant spectral function. Update of the routine.
Courtesy of C. Verdi. The epw9.in test from the test-farm has been updated.
2019-01-09 12:22:43 +00:00
Samuel Ponce dd817a575a Cleaning and optimization in EPW
1) Complete re-writing of the IBTE (at least an order of magnitude faster).
2) Supporting both k-point symmetry and no-symmetry
3) Creating of a few new modules
4) Addition of a epw_mob_ibte_sym for testing the IBTE using k-point symmetry.
Both epw_mob_ibte_sym and epw_mob_ibte should give the same result but
epw_mob_ibte_sym is much faster.
2018-10-16 17:06:08 +01:00