Siesta

Is it possible to use hybrid functional?

Asked by seungchul

Dear all,

I use SIESTA for many atomic semiconducting system, but always get in trouble with band gap and band edge.
I found the paper published at 2011 that hybrid functional was tested using siesta (The Journal of Chemical Physics 135, 034110 (2011)), yet, it is not impemented in SIESTA.

Is there any version of siesta that i can use hybrid functional? or mBJ functional? ACBN0? DFT+U+V?
Or, have plan to do it?

Thank you very much

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Launchpad Janitor (janitor) said : 		#1

This question was expired because it remained in the 'Open' state without activity for the last 15 days.

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berna (bernauyanik) said : 		#2

I hope the work "https://blueprints.launchpad.net/siesta/+spec/xc-hybrids" will be finished soon.