Electron-phonon computation in Si
Posted: Mon Jan 09, 2017 5:13 pm
Dear Sir,
I am trying to learn the e-p computation (as mentioned in yambopy) using the script "elph_qp_si.py" as attached.
I have sucessfuly generated the ground state electon phonon through "elph_pw_si.py" and obtained all the desired folders (elphon, work, etc.) and data. The quasi-particle ep file also ran successfully. However, when I am tring to plot the spectral function, I am not getting the data or any graph.
I did some research on this and found out that the python script is actually not converting into the required .json file. Line no. 67 in the "Analysis section" of the file attached here is causing the main prblem. So, I changed the "pack_files_in_folder(folder_ya)" to "pack_files_in_folder('elphon.',)" as required by the "reciepy" and the "output" scripts.
Now, atleast I am having a blank graph but no data in it.
Can you please help me out....
I am not sure where I am doing wrong, but it could be a bug in the script. I am using he latest Yambo and yambopy.
(I am sorry to post the electron phonon query here, as the electron-phonon section is not showing any buttons to drop a query.)
With regards,
Sitangshu
I am trying to learn the e-p computation (as mentioned in yambopy) using the script "elph_qp_si.py" as attached.
I have sucessfuly generated the ground state electon phonon through "elph_pw_si.py" and obtained all the desired folders (elphon, work, etc.) and data. The quasi-particle ep file also ran successfully. However, when I am tring to plot the spectral function, I am not getting the data or any graph.
I did some research on this and found out that the python script is actually not converting into the required .json file. Line no. 67 in the "Analysis section" of the file attached here is causing the main prblem. So, I changed the "pack_files_in_folder(folder_ya)" to "pack_files_in_folder('elphon.',)" as required by the "reciepy" and the "output" scripts.
Now, atleast I am having a blank graph but no data in it.
Can you please help me out....
I am not sure where I am doing wrong, but it could be a bug in the script. I am using he latest Yambo and yambopy.
(I am sorry to post the electron phonon query here, as the electron-phonon section is not showing any buttons to drop a query.)
With regards,
Sitangshu