analysegw errors in yambopy
Posted: Tue Oct 18, 2022 4:11 am
Dear developers:
I have followed the tutorials by typing 'yambopy analysegw -bc 5 -kc 7 -bv 4 -kv 7 gw_conv EXXRLvcs' to check GW convergence of the bandgap.
There were some errors here:
Traceback (most recent call last):
File "/home/yangliu/miniconda3/envs/yambopy/bin/yambopy", line 4, in <module>
__import__('pkg_resources').run_script('yambopy==0.2.0', 'yambopy')
File "/home/yangliu/miniconda3/envs/yambopy/lib/python3.6/site-packages/pkg_resources/__init__.py", line 665, in run_script
self.require(requires)[0].run_script(script_name, ns)
File "/home/yangliu/miniconda3/envs/yambopy/lib/python3.6/site-packages/pkg_resources/__init__.py", line 1463, in run_script
exec(code, namespace, namespace)
File "/home/yangliu/miniconda3/envs/yambopy/lib/python3.6/site-packages/yambopy-0.2.0-py3.6.egg/EGG-INFO/scripts/yambopy", line 549, in <module>
ycmd = YambopyCmd(*sys.argv)
File "/home/yangliu/miniconda3/envs/yambopy/lib/python3.6/site-packages/yambopy-0.2.0-py3.6.egg/EGG-INFO/scripts/yambopy", line 542, in __init__
self.cmd = cmdclass(args[2:])
File "/home/yangliu/miniconda3/envs/yambopy/lib/python3.6/site-packages/yambopy-0.2.0-py3.6.egg/EGG-INFO/scripts/yambopy", line 187, in __init__
analyse_gw(folder,var,bandc,kpointc,bandv,kpointv,pack,text,draw,verbose)
NameError: name 'analyse_gw' is not defined
How can I fix this problem? Thanks for your help.
Liu Yang
PhD student
Hua zhong university of science and technology, China
I have followed the tutorials by typing 'yambopy analysegw -bc 5 -kc 7 -bv 4 -kv 7 gw_conv EXXRLvcs' to check GW convergence of the bandgap.
There were some errors here:
Traceback (most recent call last):
File "/home/yangliu/miniconda3/envs/yambopy/bin/yambopy", line 4, in <module>
__import__('pkg_resources').run_script('yambopy==0.2.0', 'yambopy')
File "/home/yangliu/miniconda3/envs/yambopy/lib/python3.6/site-packages/pkg_resources/__init__.py", line 665, in run_script
self.require(requires)[0].run_script(script_name, ns)
File "/home/yangliu/miniconda3/envs/yambopy/lib/python3.6/site-packages/pkg_resources/__init__.py", line 1463, in run_script
exec(code, namespace, namespace)
File "/home/yangliu/miniconda3/envs/yambopy/lib/python3.6/site-packages/yambopy-0.2.0-py3.6.egg/EGG-INFO/scripts/yambopy", line 549, in <module>
ycmd = YambopyCmd(*sys.argv)
File "/home/yangliu/miniconda3/envs/yambopy/lib/python3.6/site-packages/yambopy-0.2.0-py3.6.egg/EGG-INFO/scripts/yambopy", line 542, in __init__
self.cmd = cmdclass(args[2:])
File "/home/yangliu/miniconda3/envs/yambopy/lib/python3.6/site-packages/yambopy-0.2.0-py3.6.egg/EGG-INFO/scripts/yambopy", line 187, in __init__
analyse_gw(folder,var,bandc,kpointc,bandv,kpointv,pack,text,draw,verbose)
NameError: name 'analyse_gw' is not defined
How can I fix this problem? Thanks for your help.
Liu Yang
PhD student
Hua zhong university of science and technology, China