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Re: What is a proper value of "Opt.Allocation"?

Posted: Tue Nov 22, 2016 7:35 pm
by hirawk
Thank you for your assistance in regard to the calculation of mono-nitroxide radcal with chili.
The problem was solved by the extention of the scale of the vertical axis.
The intensity of the calculated spectrum in my calculation was one milionth as much as that of the case of 4.5.5
although I don't know why.

For the calculation of NN radical, I will try again by preparing a proper PC surrounding.
I trust your word and EasySpin.
Please tell me again if some trobles come.

Re: What is a proper value of "Opt.Allocation"?

Posted: Wed Nov 23, 2016 9:50 pm
by hirawk
About the calculation of NN radicals, it was safely finished when the PC with a 8GB of RAM is used.

Thank you for your assistance.

Re: What is a proper value of "Opt.Allocation"?

Posted: Thu Nov 24, 2016 10:46 am
by Stefan Stoll
So this was an out-of-memory problem. We will improve ES error messages so we can identify this more quickly next time. Thanks.