Search found 2 matches
- 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"...
- 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 ...