Problem with qe non-collinear parametric bandsplot

[SubeenLim]

Dear developer,

I'm currently calculating the band structure of MoP.
MoP is topological material, so I try to use non-collinear calculation with qe.
Using the parametric mode, I want to check the contribution of Mo d-orbital in bandplot.
But when I plot the d-orbital, the result is below:

As far as i know, the reult should look like below:

My scf.in and plot code is:
####scf.in#####
&CONTROL
calculation = 'scf',
prefix = 'MoP',
restart_mode='from_scratch',
pseudo_dir='/home/zi56895/Dojo_NC',
outdir = './wavefunc'
verbosity = 'high'
! nstep = 50
/
&SYSTEM
ibrav = 0
nat = 2
ntyp = 2
! nbnd = 30
ecutrho = 320.0,
ecutwfc = 80.0,
! nspin = 1
occupations='smearing',
noncolin = .true.,
lspinorb = .true.,
starting_magnetization(1) = 1
starting_magnetization(2) = 1,
smearing='gaussian',
degauss=0.002,
/
&electrons
conv_thr = 1.0d-6
mixing_beta = 0.7
electron_maxstep = 100
/
&ions
ion_dynamics = 'bfgs'
/
&cell
cell_dynamics = 'bfgs'
press_conv_thr = 0.5
/

CELL_PARAMETERS (angstrom)
3.242217242 -0.000000000 -0.000000000
-1.621108621 2.807842496 0.000000000
0.000000000 -0.000000000 3.196806666
ATOMIC_SPECIES
Mo 95.94 Mo.upf
P 30.97 P.upf

ATOMIC_POSITIONS (crystal)
Mo 0.3333333430 0.6666666870 0.5000000000
P 0.0000000000 0.0000000000 0.0000000000

K_POINTS {automatic}
12 12 12 0 0 0

####plot code###
atoms=[0]
spins=[0]
orbitals=[8,9,10,11,12,13,14,15,16,17]

pyprocar.bandsplot(code='qe', elimit = [-2,2], mode='parametric',spins=spins, atoms=atoms,orbitals=orbitals,dirname=data_dir, print_plot_opts=True)

I would appreciate it if someone could let me know what problem is.

[lllangWV]

Hey SubeenLim,

You are correct. There was issue came up due to the two different qe version. We made the original qe non-colinear to parse a branch of the qe code.

Here is the new plot:

I have pushed the changes to github. I will update pypi tonight with the new version.

Logan Lang

[SubeenLim]

Hi Logan,

Thanks for your kind reply.

Best regards

Subeen,