Search found 2 matches

by cocoinsky
Mon Apr 06, 2020 10:09 am
Forum: Response calculations
Topic: Errors of NLO calculation with "anaddb < tnlo_5.files"
Replies: 1
Views: 2008

Errors of NLO calculation with "anaddb < tnlo_5.files"

Dear Sir, I want to ask a question about dealing NLO calculation with "Analysis of the DDB" in the link: https://docs.abinit.org/tutorial/nlo/, (Linear and non-linear responses from density functional perturbation theory (DFPT)) which is the fifth step with the command "anaddb < tnlo_5.files > out5"...
by cocoinsky
Sat Apr 04, 2020 4:21 pm
Forum: Ground state
Topic: Errors of NLO calculation with "anaddb < tnlo_5.files"
Replies: 1
Views: 2042

Errors of NLO calculation with "anaddb < tnlo_5.files"

Dear sir, I have finished the official tests about nonlinear calculations, with: https://docs.abinit.org/tutorial/nlo/#2-linear-and-non-linear-responses-from-density-functional-perturbation-theory-dfpt . No errors! Then, same flow, I choose LiIO3 as my first start to calculate its nonlinear optical ...