[Wien] NMR CSA calculations using WIEN2k/13

Bing Zhou luxunca at yahoo.ca
Wed Nov 27 03:10:10 CET 2013


Dear Peter and Robert,
I am trying to calculate the isotropic as well as the anisotropic shield (CSA) at the B sites in borate minerals, I am wondering if the latest WIEN2k version already fixed the problem in calculating CSA?
Best wishes,
Bing


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