Dear all,
Greetings of the day!!
May I have your attention, please?
I tried running gw_bse_bn.py but ended up in error, as given below:
[amalk@ramanujan bn]$ python gw_bse_bn.py -r -t 8
nscf calculation found!
Traceback (most recent call last):
File "gw_bse_bn.py", line 108, in <module>
if args.run: run(nthreads,cut)
File "gw_bse_bn.py", line 49, in run
QPKrange,_ = y['QPkrange']
File "/home/amalk/.local/lib/python3.6/site-packages/yambopy-0.1-py3.6.egg/yambopy/io/inputfile.py", line 150, in __getitem__
return self.variables[key]
KeyError: 'QPkrange'
[amalk@ramanujan bn]$ cd gw+bse/
[amalk@ramanujan gw+bse]$ ls
SAVE yambo.in
Please find below the bn_nscf_input, nscf.log and gw_bse_bn.py files.
Can we figure out the problem?
Thanks,
amal
KeyError: 'QPkrange' while running gw+bse calculation
Moderators: palful, amolina, mbonacci
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KeyError: 'QPkrange' while running gw+bse calculation
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Amal Kishore
Ph.D. Student
Institute of Nano Science and Technology, Mohali, India
https://inst.ac.in/
Ph.D. Student
Institute of Nano Science and Technology, Mohali, India
https://inst.ac.in/
- palful
- Posts: 77
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- Location: Modena and Milan
Re: KeyError: 'QPkrange' while running gw+bse calculation
Dr. Fulvio Paleari
S3-CNR Institute of Nanoscience and MaX Center
Modena, Italy
S3-CNR Institute of Nanoscience and MaX Center
Modena, Italy