KeyError: 'QPkrange' while running gw+bse calculation
Posted: Sun Nov 07, 2021 10:30 am
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
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