Open mystery-e204 opened 1 month ago
Thanks for your report. I think it is fixed by PR #29. I should write a test. But I don't have a good idea how to write the test for those commands systematically. Probably in the future I will work on it.
Note, in addition, I changed the command name from velph-elph
to velph-transport
. See #29.
When running
velph phelel init
, a directory namedphelel
is created. However, when creating a self-energy calculation from this supercell data viavelph elph generate
, it assumes that the directory is calledsupercell
(which was the case in the past). I think this should be consistently calledphelel
as well.