Dear users 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. TDDFT or GW?
any help in this regards would be highly appreciated. Thanks Adnan Bilknet U. Ankara _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
