Search found 3 matches
- Thu Aug 31, 2017 7:02 pm
- Forum: General forum
- Topic: EPR simulation_Orca2easyspin_need help
- Replies: 3
- Views: 1548
- Wed Aug 30, 2017 5:26 pm
- Forum: General forum
- Topic: EPR simulation_Orca2easyspin_need help
- Replies: 3
- Views: 1548
Re: EPR simulation_Orca2easyspin_need help
Thank you very much, Stefan Stoll.
Regards,
MA
Regards,
MA
- Wed Aug 30, 2017 4:24 am
- Forum: General forum
- Topic: EPR simulation_Orca2easyspin_need help
- Replies: 3
- Views: 1548
EPR simulation_Orca2easyspin_need help
Hi All, I am a beginner of easyspin and matlab and would like to ask for your help with the difficulties that I am facing. After setting up a calculation on Orca, then using easyspin with command orca2easyspin(.prop file), I got this information: Sys = S: 0.5000 xyz: [48x3 double] Charge: -1 g: [2.0...