[Wien] two questions about NMR calculations

[Robert Laskowski]

Hi,

Q1, there is also current in other spheres that can contribute to the field at
B
Q2, x_nmr -h just displays README file, it looks like it cannot find it, maybe
SRC_nmr is somewhere else.

regards

Robert



On 21 November 2013 PM 12:59:00 Bing Zhou wrote:
> 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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Dr. Robert Laskowski

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Institute of High Performance Computing, A*STAR
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