Yes.
Of course the trace in case.xim is what you want.
The :NMRXIM is the contribution of Xi to the chemical shift at the nucleus.
On 05/10/2017 09:36 AM, karima Physique wrote:
Thank you very much for you answers
Is there a difference between trace of magnetic susceptibility in the
file case.xim and :NMRXIM in the file case.outputnmr_integ because they
have two different values?
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