Yambopy errors in plotem1s process
Posted: Tue Jun 22, 2021 2:36 pm
Dear all,
I want to get the dielectric function in GW calculation. In GW calculation, I used the the COHSEX to get the em1s files. Then, I copy all the em1s files into SAVE folder. and I want to use command to plot the dielectric function. However, it reported that Is there anyone can help me fix this problem? Thank you!
Best regards,
Jason
I want to get the dielectric function in GW calculation. In GW calculation, I used the the COHSEX to get the em1s files. Then, I copy all the em1s files into SAVE folder. and I want to use
Code: Select all
yambopy plotem1s ./SAVE
Code: Select all
Traceback (most recent call last):
File "/data/home/djy3/.local/bin/yambopy", line 4, in <module>
__import__('pkg_resources').run_script('yambopy==0.1', 'yambopy')
File "/data/home/djy3/software/anaconda3/lib/python3.8/site-packages/pkg_resources/__init__.py", line 650, in run_script
self.require(requires)[0].run_script(script_name, ns)
File "/data/home/djy3/software/anaconda3/lib/python3.8/site-packages/pkg_resources/__init__.py", line 1446, in run_script
exec(code, namespace, namespace)
File "/data/home/djy3/.local/lib/python3.8/site-packages/yambopy-0.1-py3.8.egg/EGG-INFO/scripts/yambopy", line 390, in <module>
ycmd = YambopyCmd(*sys.argv)
File "/data/home/djy3/.local/lib/python3.8/site-packages/yambopy-0.1-py3.8.egg/EGG-INFO/scripts/yambopy", line 383, in __init__
self.cmd = cmdclass(args[2:])
File "/data/home/djy3/.local/lib/python3.8/site-packages/yambopy-0.1-py3.8.egg/EGG-INFO/scripts/yambopy", line 98, in __init__
ys = YamboStaticScreeningDB(save=folder)
File "/data/home/djy3/.local/lib/python3.8/site-packages/yambopy-0.1-py3.8.egg/yambopy/dbs/em1sdb.py", line 63, in __init__
self.cutoff = ("".join(database.variables['CUTOFF'][:][0]).strip())
TypeError: sequence item 0: expected str instance, numpy.bytes_ found
Best regards,
Jason