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Regarding when to start Yambo calculations..

Posted: Sat Mar 01, 2014 8:38 am
by schopra1980
Dear All
This might sound too simple.. But when do I run TDDFT calculations? I mean once my sample has attained the LOWEST energy configuration. And ofcourse it is done using ABINIT. So once this is done, I will have the wavefunctions and db1 file which will be taken as i/p by Yambo.. Am I correct or am missing something?
I have ABINIT parallel version installed and yet to start using Yambo. Please help people.. Also how to analyze the o/p generated by Yambo?

Regards,

Re: Regarding when to start Yambo calculations..

Posted: Sat Mar 01, 2014 1:29 pm
by Daniele Varsano
Dear Siddheshwar,
I'm not sure I understood you question, anyway Yambo it is a TDDFT and Many Body Perturbation Theory code, and it relies on the ground state electronic structure calculated either by Abinit or Quantum Espresso. About how to run yambo, analyze repost files and outputs, I strongly suggest you to run step by step the tutorial provided in the web pages.

Best,
Daniele