I installed BAGEL. And I found that the following problem always occurs every time I start calculating using CASPT2 method, and the calculation seems to stop here. The first image is the end of the output file, and the second image is the error message prompted. Maybe anyone knows what's going on?
Dear Developers,
I installed BAGEL. And I found that the following problem always occurs every time I start calculating using CASPT2 method, and the calculation seems to stop here. The first image is the end of the output file, and the second image is the error message prompted. Maybe anyone knows what's going on?
