Questions about k- and band-resolved electronic lifetime

[Renhui Liu]

Dear BerkeleyGW developers,

I have several questions regrading the calculation of electronic lifetime:

(1) How can I extract the electronic lifetime as a function of k and band index from Sigma code? Is a full-frequency calculation required, or is GPP sufficient?

(2) Can the electronic lifetime be evaluated on a coarse grid from Sigma calculation, and then interpolated onto fine grid using Inteqp code?

Best regards,

Renhui

[Zhenglu Li]

Dear Renhui,

1. To calculate lifetime, you need to use full frequency calculation (GPP is not enough) in Sigma.
2. I don't think inteqp works for lifetime.  However, one may try to hack the eqp.dat file by replacing the energies by the lifetime (as if they are energies, the code doesn't know anyways), and run through inteqp.  I don't know if this is a good idea, or how well/bad it will work, but worth a try.  Otherwise, one can use some other interpolation scheme (e.g. linear, or some numerical interpolations).

Best,

Zhenglu

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From: Renhui Liu <rhli...@gmail.com>
Sent: Sunday, June 14, 2026 6:55 AM
To: BerkeleyGW Help <he...@berkeleygw.org>
Subject: Questions about k- and band-resolved electronic lifetime

 

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