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Interpolating Band Structures

Posted: Wed Nov 27, 2024 3:53 pm
by tom
Hello YAMBO developers and users
When I used yambo to calculate the energy band, BOLTZ interpolation method was used in the input file, but NN was displayed at the end of the output file, which definitely affected the generated energy band gap. I wanted to use BOLTZ method to change the temperature at this step in order to obtain the energy band value at different temperatures, but such changes would always occur. Need your help! Hope to reply soon! thank you。

Re: QP database mergering

Posted: Fri Nov 29, 2024 10:22 am
by Nicola Spallanzani
Dear Tom,
please sign your post with your full name and affiliation, this is a rule of the forum. You can do once all by filling your signature in the user profile.
Also, I'm moving this post in the "technical issues" section that is more indicated for the topic of this post.

Best,
Nicola

Re: QP database mergering

Posted: Fri Nov 29, 2024 10:50 am
by Daniele Varsano
Dear Tom,

you can have a look to yambopy platform and use the mergeqp command.
https://wiki.yambo-code.eu/wiki/index.p ... _databases

Best,
Daniele