cannot import data from orca output though orca2easyspin

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spinlibern
Newbie
Posts: 2
Joined: Tue Jun 20, 2023 11:40 pm

cannot import data from orca output though orca2easyspin

Post by spinlibern »

I input the command : Sys=orca2easyspin('filename');
in matlab editor and run it. but i can't get a right result, it reports a error:
Error using orca2easyspin
Unknown property encountered (PropertyID = 757935405)

the file directory was checked. no matter how i use orca2easyspin('filename') or orca2easyspin('filename.prop') or orca2easyspin('filename.out'),same error report occurs.
who can give me the answer?
the toobox version is :5.2.35.

spinlibern
Newbie
Posts: 2
Joined: Tue Jun 20, 2023 11:40 pm

Re: cannot import data from orca output though orca2easyspin

Post by spinlibern »

my orca version is 5.0.4. whether the error comes from orca version mismatches the easyspin?

Stefan Stoll
EasySpin Creator
Posts: 1050
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: cannot import data from orca output though orca2easyspin

Post by Stefan Stoll »

EasySpin 5.2.x does not support ORCA 5.0.x

Please use EasySpin 6 instead.

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