First iteration of new metallic scheme

[akvatol]

New scheme for metals. It doesn't solve all the problems with calculating the electronic structure of metallic systems, especially heavy metals and -f elements. But it increases the chance of a successful calculation.

[pep8speaks]

Hello @akvatol! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

• In the file scripts/aiida_submit_ext_scheme.py:

Line 14:80: E501 line too long (88 > 79 characters)
Line 18:80: E501 line too long (85 > 79 characters)
Line 19:80: E501 line too long (86 > 79 characters)
Line 51:80: E501 line too long (83 > 79 characters)

Comment last updated at 2024-08-21 14:56:41 UTC

[akvatol]

@blokhin Can you check suggested scheme?

[blokhin]

@akvatol shouldn't we reduce k-sampling for non-metals? e.g. to 6 12, see our chat