Hi Katalin, I submitted 3 jobs on xd1 few hours ago, because xd1 can be used again now.
I spoke to Olivia this morning. I told her the problem we had for xd1, she told me to use sp5 if necessary. So I'm going to finish my time evolutions on oxidized flavin and after to decide what to do. (Don't worry, I don't need too many hours). She also told me that maybe you shouldn't do a tddft calculation with a radius=8ang, a casida calculation is enough. (But it's better if you speak to her.) If you'll have to do only a casida calculation, we have hours enough. see you later bye bye ----------------------------------------------------------------- My lessons: On Monday: from 14:30 to 18:00 On Tuesday: from 9:15 to 10:50 and from 14:30 to 16:00 On Thursday: from 14:30 to 17:30 -----------------------------------------------------------------
