First iteration of new metallic scheme #4
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Hello @akvatol! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:
Comment last updated at 2024-08-21 14:56:41 UTC |
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@blokhin Can you check suggested scheme? |
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@akvatol shouldn't we reduce k-sampling for non-metals? e.g. to |
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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.