[Pw_forum] XD1 is on again

[Elena Cannuccia]

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


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