#This is a draft of the comment to a merge commit. #Please add here what you feel necessary
This PR implements a number of changes, which include
- transition to the new evaluation using FermiOcean and Formula_ln classes
- Multi-node parallelization
- Fermi-sea formulas for many quantities
- External vs internal terms
- Tetrahedron method
- One quantity with differnet parameters in one run
- user-defined quantities
- two conventions for the Bloch sums
- more quantities to tabulate
- pre-defined TB models for illustration
- deprecation of the parallelization using multiprocessing module (ray is now the only option)
New Reference data are added for the Chiral model
A number of Reference data changed:
Data for Morb were changed due to a bugfix:
- berry_Fe_W90-Morb_iter-0000.dat
- berry_Fe_W90-Morb-sym_iter-0000.dat
- berry_Fe_W90-Morb-sym_iter-0001.dat
- berry_Fe_W90-Morb-wcc_iter-0000.dat
reference data for all fermi-surface quantities were changed, because FermiOcean treats fermi-level scan a bit diferently than the old nonabelian module:
- nonabelian was choosing bands in the interval [E-dE/2:E+dE/2]
- fermiocean takes a numerical derivative of Fermi-sea result, which for fder=1 is equivalent to choosing bands in the interval [E-dE:E+dE]
The changed data are:
- berry_Fe_W90-conductivity_ohmic_fsurf_iter-0000.dat
- berry_Fe_W90-conductivity_ohmic_fsurf-sym_iter-0000.dat
- berry_Fe_W90-conductivity_ohmic_fsurf-sym_iter-0001.dat
- berry_Fe_W90-conductivity_ohmic_iter-0000.dat
- berry_Fe_W90-conductivity_ohmic-sym_iter-0000.dat
- berry_Fe_W90-conductivity_ohmic-sym_iter-0001.dat
- berry_Fe_W90-dos_iter-0000.dat
- berry_Fe_W90-dos-sym_iter-0000.dat
- berry_Fe_W90-dos-sym_iter-0001.dat
- berry_GaAs_tb-berry_dipole_fsurf_iter-0000.dat
- berry_GaAs_W90-berry_dipole_fsurf_iter-0000.dat
- berry_Haldane_tbmodels-conductivity_ohmic_iter-0000.dat
- berry_Haldane_tbmodels-conductivity_ohmic-sym_iter-0000.dat
- berry_Haldane_tbmodels-conductivity_ohmic-sym_iter-0001.dat
- berry_Haldane_tbmodels-dos_iter-0000.dat
- berry_Haldane_tbmodels-dos-sym_iter-0000.dat
- berry_Haldane_tbmodels-dos-sym_iter-0001.dat
In addition, all data from iter-0001 needed changes, because choice of refinement points is determined by all results on iter_0000, which is affected by the changes listed above
- berry_Fe_W90-ahc-sym_iter-0001.dat
- berry_Fe_W90-cumdos-sym_iter-0001.dat