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Add CrI3 tutorial (spin-polarised kcp calculation) #224
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error call when nspin=2 (now implemented)
Hello @nscolonna! Thanks for updating this PR.
Comment last updated at 2024-10-11 13:45:17 UTC |
…o bugfix_ui_nspin2
…e-specific information is different from english
small box size, I set it in input)
Apparently setting the locale to en_US.UTF8 or es_US.utf8 works on my machine but not on the one the CI tests are run. |
…port the new syntax in QE7.3 and to search in both the pw and kcp blocks of the input file
…et pseudopotentials to be a dict
@nscolonna I have brought this PR up-to-date with master. The bugfix that the original PR sought to solve was actually fixed by #220 but this PR still adds the CrI3 tutorial so we still want to merge it. I have changed the title accordingly. |
Thanks! sounds good! |
np.max
does not work with lists of list with different shape. Fixed