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blokhin avatar blokhin commented on September 22, 2024

NB

root@aiida-new:~/mpds-aiida/TZVP_REV2# verdi data crystal uploadfamily --name=TZVP_REV2
-/usr/local/lib/python3.7/dist-packages/aiida/orm/nodes/node.py:1004: AiidaDeprecationWarning: the `use_cache` argument is deprecated and will be removed in `v2.0.0`
  'the `use_cache` argument is deprecated and will be removed in `v2.0.0`', AiidaDeprecationWarning
Basis set files found: 47, out of them uploaded: 47 (for elements: Ag, Al, As, B, Be, Br, C, Ca, Cd, Cl, Co, Cr, Cu, F, Fe, Ga, Ge, H, I, In, K, Li, Mg, Mn, Mo, N, Na, Nb, Ni, O, P, Pd, Rb, Rh, Ru, S, Sb, Sc, Se, Si, Sr, Te, Ti, V, Y, Zn, Zr) to basis family TZVP_REV2```

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ansobolev avatar ansobolev commented on September 22, 2024

Where from?

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blokhin avatar blokhin commented on September 22, 2024

https://tilde.pro/share/TZVP_REV2.7z

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blokhin avatar blokhin commented on September 22, 2024

cf. tilde-lab/aiida-crystal-dft#33

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blokhin avatar blokhin commented on September 22, 2024

@ansobolev

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