a warning is displayed:invalid value encountered in divide

[studyvasp]

When I calculate the Raman spectrum of glycine, a warning is displayed:invalid value encountered in divide intensities = np.divide(intensities, norm) The I(v) [Ang^4 amu^-1] in Raman-Spectrum.dat is 0.00000,but the data in Raman is normalRaman-PeakTable.dat is right, Could you give me some help?

[JMSkelton]

When you say the data in Raman-PeakTable.dat is "right", do you mean the band intensities are non-zero?

Without any additional information, this error means that, for whatever reason, the calculated band intensities passed to the plotting code are all zero.

In order to determine whether this is a bug in the code or an issue with the calculation, can you please post your Raman.yaml file and the command you used to generate the plot?

[studyvasp]

Command according to the example：phonopy-raman -p --ir-reps --linewidth-hdf5="kappa-m484848-g0.hdf5" --linewidth-temperature=300 Raman.yaml is: distance_units: Ang frequency_units: THz step_units: sqrt(amu) * Ang

lattice_vectors:

• [ 18.00000000, 0.00000000, 0.00000000 ]
• [ 0.00000000, 19.00000000, 0.00000000 ]
• [ 0.00000000, 0.00000000, 20.00000000 ]

displacement_sets:

• 1

  band_index: 1 frequency: -1.601869483770008 displacements:

  • Step 1

    displacement_step: -0.01827533 max_cartesian_displacement: -0.00486559

  • Step 2

    displacement_step: 0.01827533 max_cartesian_displacement: 0.00486559

• 2

  band_index: 2 frequency: -0.865746809494074 displacements:

  • Step 1

    displacement_step: -0.02425554 max_cartesian_displacement: -0.00415377

  • Step 2

    displacement_step: 0.02425554 max_cartesian_displacement: 0.00415377

• 3

  band_index: 6 frequency: 0.673643539271207 displacements:

  • Step 1

    displacement_step: -0.02161378 max_cartesian_displacement: -0.00490429

  • Step 2

    displacement_step: 0.02161378 max_cartesian_displacement: 0.00490429

• 4

  band_index: 7 frequency: 1.204599960794178 displacements:

  • Step 1

    displacement_step: -0.01785155 max_cartesian_displacement: -0.00560660

  • Step 2

    displacement_step: 0.01785155 max_cartesian_displacement: 0.00560660

• 5

  band_index: 8 frequency: 4.057379894704041 displacements:

  • Step 1

    displacement_step: -0.01096796 max_cartesian_displacement: -0.00705191

  • Step 2

    displacement_step: 0.01096796 max_cartesian_displacement: 0.00705191

• 6

  band_index: 9 frequency: 7.498410707717166 displacements:

  • Step 1

    displacement_step: -0.01926113 max_cartesian_displacement: -0.00659575

  • Step 2

    displacement_step: 0.01926113 max_cartesian_displacement: 0.00659575

• 7

  band_index: 10 frequency: 12.370349344259717 displacements:

  • Step 1

    displacement_step: -0.01726181 max_cartesian_displacement: -0.00634225

  • Step 2

    displacement_step: 0.01726181 max_cartesian_displacement: 0.00634225

• 8

  band_index: 11 frequency: 15.965255725525315 displacements:

  • Step 1

    displacement_step: -0.01832613 max_cartesian_displacement: -0.00753967

  • Step 2

    displacement_step: 0.01832613 max_cartesian_displacement: 0.00753967

• 9

  band_index: 12 frequency: 17.347339064831978 displacements:

  • Step 1

    displacement_step: -0.01153162 max_cartesian_displacement: -0.00961293

  • Step 2

    displacement_step: 0.01153162 max_cartesian_displacement: 0.00961293

• 10

  band_index: 13 frequency: 20.85497028419394 displacements:

  • Step 1

    displacement_step: -0.01747719 max_cartesian_displacement: -0.00671849

  • Step 2

    displacement_step: 0.01747719 max_cartesian_displacement: 0.00671849

• 11

  band_index: 14 frequency: 22.557864898222025 displacements:

  • Step 1

    displacement_step: -0.01157892 max_cartesian_displacement: -0.00684455

  • Step 2

    displacement_step: 0.01157892 max_cartesian_displacement: 0.00684455

• 12

  band_index: 15 frequency: 24.426467930785588 displacements:

  • Step 1

    displacement_step: -0.01688274 max_cartesian_displacement: -0.00501355

  • Step 2

    displacement_step: 0.01688274 max_cartesian_displacement: 0.00501355

• 13

  band_index: 16 frequency: 28.749630112190612 displacements:

  • Step 1

    displacement_step: -0.01472388 max_cartesian_displacement: -0.00682397

  • Step 2

    displacement_step: 0.01472388 max_cartesian_displacement: 0.00682397

• 14

  band_index: 17 frequency: 31.09105424080676 displacements:

  • Step 1

    displacement_step: -0.01479191 max_cartesian_displacement: -0.00670847

  • Step 2

    displacement_step: 0.01479191 max_cartesian_displacement: 0.00670847

• 15

  band_index: 18 frequency: 32.12576906101277 displacements:

  • Step 1

    displacement_step: -0.01369318 max_cartesian_displacement: -0.00519014

  • Step 2

    displacement_step: 0.01369318 max_cartesian_displacement: 0.00519014

• 16

  band_index: 19 frequency: 35.29181641846971 displacements:

  • Step 1

    displacement_step: -0.01189641 max_cartesian_displacement: -0.00647999

  • Step 2

    displacement_step: 0.01189641 max_cartesian_displacement: 0.00647999

• 17

  band_index: 20 frequency: 37.21166069236912 displacements:

  • Step 1

    displacement_step: -0.01125025 max_cartesian_displacement: -0.00834608

  • Step 2

    displacement_step: 0.01125025 max_cartesian_displacement: 0.00834608

• 18

  band_index: 21 frequency: 39.08972622993563 displacements:

  • Step 1

    displacement_step: -0.01410333 max_cartesian_displacement: -0.00654923

  • Step 2

    displacement_step: 0.01410333 max_cartesian_displacement: 0.00654923

• 19

  band_index: 22 frequency: 40.83164238928331 displacements:

  • Step 1

    displacement_step: -0.01287008 max_cartesian_displacement: -0.00645423

  • Step 2

    displacement_step: 0.01287008 max_cartesian_displacement: 0.00645423

• 20

  band_index: 23 frequency: 42.89689942892829 displacements:

  • Step 1

    displacement_step: -0.01036118 max_cartesian_displacement: -0.00730386

  • Step 2

    displacement_step: 0.01036118 max_cartesian_displacement: 0.00730386

• 21

  band_index: 24 frequency: 47.45014500115151 displacements:

  • Step 1

    displacement_step: -0.01043835 max_cartesian_displacement: -0.00704949

  • Step 2

    displacement_step: 0.01043835 max_cartesian_displacement: 0.00704949

• 22

  band_index: 25 frequency: 52.91348237918348 displacements:

  • Step 1

    displacement_step: -0.03161036 max_cartesian_displacement: -0.00722585

  • Step 2

    displacement_step: 0.03161036 max_cartesian_displacement: 0.00722585

• 23

  band_index: 26 frequency: 86.40367605962098 displacements:

  • Step 1

    displacement_step: -0.01035103 max_cartesian_displacement: -0.00987527

  • Step 2

    displacement_step: 0.01035103 max_cartesian_displacement: 0.00987527

• 24

  band_index: 27 frequency: 91.3906987756054 displacements:

  • Step 1

    displacement_step: -0.01043664 max_cartesian_displacement: -0.00989611

  • Step 2

    displacement_step: 0.01043664 max_cartesian_displacement: 0.00989611

• 25

  band_index: 28 frequency: 103.29119378946392 displacements:

  • Step 1

    displacement_step: -0.01024293 max_cartesian_displacement: -0.00788581

  • Step 2

    displacement_step: 0.01024293 max_cartesian_displacement: 0.00788581

• 26

  band_index: 29 frequency: 106.01524775030666 displacements:

  • Step 1

    displacement_step: -0.01045593 max_cartesian_displacement: -0.00790755

  • Step 2

    displacement_step: 0.01045593 max_cartesian_displacement: 0.00790755

• 27

  band_index: 30 frequency: 108.7673136677033 displacements:

  • Step 1

    displacement_step: -0.01031394 max_cartesian_displacement: -0.00998120

  • Step 2

    displacement_step: 0.01031394 max_cartesian_displacement: 0.00998120