analysegw errors in yambopy

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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liuyang_phy
Posts: 6
Joined: Tue Oct 18, 2022 3:43 am

analysegw errors in yambopy

Post by liuyang_phy » 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

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palful
Posts: 56
Joined: Tue Jan 26, 2016 11:23 am
Location: Modena and Milan

Re: analysegw errors in yambopy

Post by palful » Tue Oct 18, 2022 10:47 am

Dear Liu Yang,

There was a bug in the yambopy script calling the analyse_gw function and several others. Thank you very much for spotting it!

You can download the patched version here: https://github.com/yambo-code/yambopy (go to "Code" and then "Download ZIP").

Don't hesitate to let us know if the "NameError: name 'xxxxx' is not defined" message appears again as you use the other commands found in the tutorials.

Cheers,
Fulvio
Dr. Fulvio Paleari
S3-CNR Institute of Nanoscience and MaX Center
Modena, Italy

liuyang_phy
Posts: 6
Joined: Tue Oct 18, 2022 3:43 am

Re: analysegw errors in yambopy

Post by liuyang_phy » Wed Oct 19, 2022 2:31 pm

palful wrote: Tue Oct 18, 2022 10:47 am Dear Liu Yang,

There was a bug in the yambopy script calling the analyse_gw function and several others. Thank you very much for spotting it!

You can download the patched version here: https://github.com/yambo-code/yambopy (go to "Code" and then "Download ZIP").

Don't hesitate to let us know if the "NameError: name 'xxxxx' is not defined" message appears again as you use the other commands found in the tutorials.

Cheers,
Fulvio
Dear Fulvio,
Thank for your timely reply! now the problem has been settled.

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