[Pw_forum] how to calculation absorpation light in the quantum espresso

Christoph Wolf(신소재공학과) chwolf at postech.ac.kr
Wed May 24 11:17:35 CEST 2017


For optics, quasiparticle properties, … I can only highly recommend Yambo (www.yambo-code.org<http://www.yambo-code.org>); I worked on several perovskite materials and it gives excellent results with reasonable calculation effort (hours~days).

An excellent place to look for information is: http://www.attaccalite.com/reasonable-parameters-for-yambo-calculations/ (and of course the forums of yambo). Yambo comes with recent versions of QE and you can build it with make yambo. Was mostly painless except for some problems related to libxc

Best luck!

Chris
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