[Pw_forum] absorption spectrum

Muhammad Adnan Saqlain saqlain at bilkent.edu.tr
Fri Sep 16 14:34:00 CEST 2016

Dear users

I want opinion from experts in the area.

I have a system consisting of 94 atoms (periodic with cell lengths of 
16.5, 8.5 and 8.7). I want to calculate its absorption spectrum. Can 
anyone guide me which technique would be easy to run. Actually, we have 
16 core machine and we can run a job for a maximum of 15 days only. 
Based upon this time limit, I would like to know which technique would 
be suitable. Epsilon.x, TDDFT or GW?

any help in this regards would be highly appreciated.



Bilknet U. Ankara

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