Thanks for the quick reply Stefan
One last question though: what would an EasySpin-compatible spin system structure require format-wise?
Search found 2 matches
- Tue Oct 11, 2016 6:22 pm
- Forum: General forum
- Topic: DFT softwares compatible with EasySpin
- Replies: 3
- Views: 2121
- Mon Oct 10, 2016 7:33 pm
- Forum: General forum
- Topic: DFT softwares compatible with EasySpin
- Replies: 3
- Views: 2121
DFT softwares compatible with EasySpin
Hi everyone, I am a relatively new user of EasySpin, and so need some help if anyone has a moment to spare: Q1 - For simulating purposes I will need to use DFT calculations. I have access to different software (Dmol, Gaussian...) but not Orca. Hence my question: is EasySpin compatible with any other...