KeyError: 'QPkrange' while running gw+bse calculation

Post here any question you encounter when running the scripts of the yambo-py suite. Post here problem strictly to the python interface as problem coming from the yambo runs should go in the appropriate subforum.

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KeyError: 'QPkrange' while running gw+bse calculation

Post by amal_kishore » Sun Nov 07, 2021 10:30 am

Dear all,
Greetings of the day!!
May I have your attention, please?

I tried running but ended up in error, as given below:

[amalk@ramanujan bn]$ python -r -t 8
nscf calculation found!
Traceback (most recent call last):
File "", line 108, in <module>
if run(nthreads,cut)
File "", line 49, in run
QPKrange,_ = y['QPkrange']
File "/home/amalk/.local/lib/python3.6/site-packages/yambopy-0.1-py3.6.egg/yambopy/io/", line 150, in __getitem__
return self.variables[key]
KeyError: 'QPkrange'
[amalk@ramanujan bn]$ cd gw+bse/
[amalk@ramanujan gw+bse]$ ls

Please find below the bn_nscf_input, nscf.log and files.
Can we figure out the problem?

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Amal Kishore
Ph.D. Student
Institute of Nano Science and Technology, Mohali, India

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Location: Rome and Milan

Re: KeyError: 'QPkrange' while running gw+bse calculation

Post by palful » Mon Nov 08, 2021 5:36 pm

Hi Amal,

Try to rerun everything following my reply to your other posting!

Fulvio Paleari
Istituto di Struttura della Materia (CNR)
Area della Ricerca Roma 1

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