Error in gw2wannier90.py

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soumyadeepghosh35
Posts: 22
Joined: Tue Jun 04, 2019 11:54 am

Error in gw2wannier90.py

Post by soumyadeepghosh35 » Wed Jul 15, 2020 4:54 pm

Dear All,
I am getting error in running gw2wannier90.py with python2 and 3. Error message and input file is attached for details.

##############################

### gw2wannier90 interface ###

##############################

Kpoints number: 1728
G0W0 QP corrections read from FeSe.gw.unsorted.eig
Adding GW QP corrections to KS eigenvalues
Sorting
GW eigenvalues sorted
------------------------------

writing FeSe.gw.eig
FeSe.gw.eig written.
*************** input by soumyadeep ***************
('BANDSORT=', <type 'numpy.ndarray'>)
('ik=', <type 'int'>)
('bsort=', <type 'numpy.ndarray'>)
***************************************************
----------
AMN module
---------

Traceback (most recent call last):
File "/media/soumyadeep/Jobs/QE/qe-6.5/wannier90-3.0.0/utility/gw2wannier90.py", line 194, in <module>
amn=AMN[BANDSORT[ik],:,ik]
please help.

with many thanks and best regards
Soumyadeep
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Soumyadeep Ghosh,
Senior Research Fellow,
HBNI-RRCAT, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35@gmail.com, soumyadeep@rrcat.gov.in

AntimoMarrazzo
Posts: 20
Joined: Fri Jan 22, 2016 2:46 pm

Re: Error in gw2wannier90.py

Post by AntimoMarrazzo » Mon Jul 20, 2020 10:00 am

Which version of Wannier90 are you using?
Antimo Marrazzo
SISSA
Trieste (Italy)

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