Boltztrap2 interface error

pymatgen
1

Dear all

I’am trying to calculate the electronic transport properties of oxides,
referring to Boltztrap2 example (see below link)

2019-01-04-How to use Boltztra2 interface - matgenb

In the interpolator stage, I get the following error.(see below image)
I would like to ask for any advice on this problem.

error
error1846×1083 201 KB

Thanks you

---------------------Computational details---------------------

  • Software: VASP
    -SYSTEM: mp-17844(SnWO4)
    -KPOINTS
    pymatgen v2021.2.14 with grid density = 1345 / number of atoms
    0
    Gamma
    15 15 15
  • INCAR
    ALGO = Normal
    EDIFF = 1e-05
    EDIFFG = -0.01
    ENCUT = 520
    IBRION = 2
    ISIF = 3
    ISMEAR = 0
    ISPIN = 2
    LASPH = True
    LDAU = True
    LDAUJ = 0 0 0
    LDAUL = 0 2 0
    LDAUPRINT = 1
    LDAUTYPE = 2
    LDAUU = 0 6.2 0
    LMAXMIX = 6
    LORBIT = 11
    LREAL = Auto
    LWAVE = False
    MAGMOM = 40.6 45.0 16*0.6
    NCORE = 16
    NELM = 300
    NELMIN = 6
    NSW = 200
    PREC = Accurate
    SIGMA = 0.05
2

I fixed this problem with the help of the code developer.

refer to the following answer.

Please, increase the energy_range to 6 eV in BztInterpolator().
The default value 1.5 eV is too low and since the band gap is large no bands are found.
I should change the way bands are selected, starting from vbm/cbm instead of fermi level.