Error in Abinit Band Structure Maker(HELP!)

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

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manik
Posts: 6
Joined: Wed Nov 16, 2016 9:04 am

Error in Abinit Band Structure Maker(HELP!)

Post by manik » Mon Dec 05, 2016 6:05 pm

Dear All

I am doing a double loop with
ndtset 20
udtset 10 2

I want to plot band structure from every second dataset.
When I am using AbinitBandStructureMaker, it delivers the error:

- WARNING -
calculation not completed

0 dataset(s) detected
Traceback (most recent call last):
File "AbinitBandStructureMaker.py", line 700, in <module>
if ctrl.datasetlocation[-1][-1] == 'not found':
IndexError: list index out of range


Is there any way out of this problem?

I also tried using other scripts such as abinit_eignc_to_bandstructure.py

It gives me the following error:

File "abinit_eignc_to_bandstructure.py", line 851, in <module>
ec_dft = EigenvalueContainer(directory='.',filename=dft_file)
File "abinit_eignc_to_bandstructure.py", line 75, in __init__
self.file_open(self.filefullpath)
File "abinit_eignc_to_bandstructure.py", line 174, in file_open
self.nc_eig_open(filefullpath)
File "abinit_eignc_to_bandstructure.py", line 380, in nc_eig_open
self.eigenvalues = N.reshape(N.array(varobj,N.float),varshape)
TypeError: __array__() takes no arguments (1 given)

While plot_bandstructure.py gives the following error:

ec_dft.read_bandstructure_from_file(file_list[ifile])
File "plot_bandstructure.py", line 534, in read_bandstructure_from_file
if len(self.special_kpoints_indices) != special_kpoints_number or len(self.special_kpoints) != special_kpoints_number:
UnboundLocalError: local variable 'special_kpoints_number' referenced before assignment


Usually i plot band structures with AbinitBandStructureMaker.py and it works well. I have never successfully used any other script. But in this case AbinitBandStructureMaker.py is also giving an error.


Help! Help! Help!

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