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chg get wrong length from POSCAR with extra-long axis. #9

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Ionizing opened this issue Jul 6, 2024 · 1 comment
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chg get wrong length from POSCAR with extra-long axis. #9

Ionizing opened this issue Jul 6, 2024 · 1 comment
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Ionizing commented Jul 6, 2024

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@Ionizing Ionizing added the bug Something isn't working label Jul 6, 2024
@Ionizing Ionizing self-assigned this Jul 6, 2024
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Ionizing commented Jul 8, 2024

Turn out to be the issue from OUTCAR:

  energy-cutoff  :      400.00
  volume of cell :      941.99
      direct lattice vectors                 reciprocal lattice vectors
     3.161739970  0.000000000  0.000000000     0.316281544  0.182605280  0.000000000
    -1.580869985  2.738146453  0.000000000     0.000000000  0.365210560  0.000000000
     0.000000000  0.000000000108.808388788     0.000000000  0.000000000  0.009190468

where the 0.000000000108.808388788 leads to the error.

@Ionizing Ionizing closed this as completed Jul 8, 2024
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