[Pw_forum] absorption spectrum
Muhammad Adnan Saqlain
saqlain at bilkent.edu.tr
Fri Sep 16 14:34:00 CEST 2016
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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