Yambo Community Forum

Dear developers,
I am trying to calculate GW with yambo-5.2.0.
During the calculation, there are a error saying: [Error] Allocation of WF%c failed with code 5014.

Could you please help me solve this problem?
Please see the attached input and LOG files.

Thank you very much.

Dear Jcho,
please sign your posts with your name and affiliation, this is a rule of the forum. You can do once for all by filling your signature in the user profile.

This is a memory issue, and it is due to the fact you are trying to calculate 127*300=38100 quasiparticle correction. This is a big waste of resources, time, and memory as usually the states of interests are the state around the gap. Moreover, the plasmon pole approximation it is not a good approximation for deep states.

My suggestion is to set something like: Not related with your problem, but please note you are using only 1 RL in your response function: This will give you out-of-convergence results. You need to check this parameter and bring it to convergence. You can have a look to GW tutorils in the wiki page as for instance:
https://www.yambo-code.eu/wiki/index.ph ... _Rome_2023

Best,
Daniele

Dear Daniele,

I apologize for not following the forum role regarding signing post.
I will ensure my signature is updated in my user post.

And, Thank you for your valuable comments and suggestions.
I missed crucial points before the calculation and now I can understand your detailed feedback.

Best regards,