8 Commits

Author	SHA1	Message	Date
Alexander Hampel	d61ce6eaae	fix for bug in wannier90 converter ... * the Fermi level given in the inp file was ignored * added a new line reporting which energy is subtracted from mu	2020-08-25 08:22:45 -04:00
sobeck	393753dc96	typo in wannier90.py	2020-08-17 19:31:32 +02:00
mmerkel	c6385b16d4	Bug fix: changed use_rotations from bool to int	2020-08-17 19:31:32 +02:00
mmerkel	52d2159c18	Small bugfixes	2020-08-17 19:31:32 +02:00
mmerkel	4ebfd15803	Added Gabriele's additional checks	2020-08-17 19:31:32 +02:00
mmerkel	19a2e55183	Added choice of different bases: hloc_diag, wannier (already implemented previously), none	2020-08-17 19:31:32 +02:00
mmerkel	aacb8847ac	Clean-up: float comparison tolerances and few minor things	2020-08-17 19:31:32 +02:00
Alexander Hampel	a1209f8a53	renamed converters from app_converter.py to app.py ... * adapted all occurences of the converter script file names including the doc files * fixed one failing test: Py_basis_transformation.py	2020-06-23 11:13:00 +02:00