[Wien] two questions about NMR calculations

Bing Zhou luxunca at yahoo.ca
Thu Nov 21 05:59:00 CET 2013


Hi again,

Could you please also help me with the folowing two questions:

Question 1: the subduction of the calculated total magnetic shielding at B site with the one inside of sphere at that site is the interstitial contribution?

Question 2: after running "x_nmr_lapw -h" or "x_nmr -h", it ended up with "/global/software/wien2k-13/bin/SRC_nmr/README: No such file or directory", how can I fix it?

Best wishes,

Bing


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