Harmonics

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aelqmache
Newbie
Posts: 4
Joined: Mon Aug 17, 2015 8:35 am

Harmonics

Post by aelqmache »

Hi,

I have just downloaded version 5.0.18 and ran a Pepper spectrum that was created and ran mostly using version 5.0.15.

When I run it in the newer version, the Harmonic seems to be "stuck" on 0.

I thought at first that perhaps this was the new default option but when I specified the Harmonic as 1, it was the same result.

Any suggestions ?

Thanks,

Adam
aelqmache
Newbie
Posts: 4
Joined: Mon Aug 17, 2015 8:35 am

Re: Harmonics

Post by aelqmache »

5.0.5*******
Matt Krzyaniak
EasySpin Guru
Posts: 153
Joined: Tue Jul 22, 2014 11:01 am
Location: Northwestern University

Re: Harmonics

Post by Matt Krzyaniak »

Do you have appreciable line-width on your simulation? If your linewidth is less than than FieldRange/nPoints pepper can't appropriately calculate the harmonics so it defaults to the absorption spectrum.
aelqmache
Newbie
Posts: 4
Joined: Mon Aug 17, 2015 8:35 am

Re: Harmonics

Post by aelqmache »

Well all I know is that the line width is set to the same value on both versions and they give different results but I shall try a larger line width and see what happens.
aelqmache
Newbie
Posts: 4
Joined: Mon Aug 17, 2015 8:35 am

Re: Harmonics

Post by aelqmache »

Increasing the line width did the trick ! It seems as though version 5.0.5 lets you "get away" with a smaller line width when it comes to observing the first derivative spectrum.
Stefan Stoll
EasySpin Creator
Posts: 1059
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Harmonics

Post by Stefan Stoll »

Indeed, this is a case where we have slightly tightened ES. Convolution of a stick spectrum with a line width that's narrower than the field increment is generally not useful.
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