Missing spins in file eqp_outer.dat

[Wu Yihan]

 

Dear BerkeleyGW team,

 

I reran a sigma calculation to test the validity of the eqp1, since I received the following warning:

 

However, I encountered the error:

 

It was a spin polarised calculation, but I split the job by running the sigma calculation twice for spin up and down respectively. This gives separate results for the two spins, which facilitates my postprocess.

 

May I know what is the format of the eqp_outer.dat? Can I add in the spin by band?

Or is there any other way to fix it?

Thank you very much!

 

 

Best regards,

Yihan Wu

Undergraduate Researcher

National University of Singapore

[Brad Barker]

Hello Yihan Wu,

Yes, I would recommend "merging" your separate eqp.dat files into a single eqp_outer.dat file.

Best,
Bradford A. Barker

University of California, Merced

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