[Wien] RMT and NMR shift

[林敏]

Dear Wien2k expert,

I have calculate NMR chemical shift of several insulators. I test the shield tensor with RMT, I find the tensor vary with RMT obviously, more than vary with K-points sampling and node numbers. 

In my understanding, the basis set is controlled by RKmax rather than RMT. So I think CS should not vary with RMT obviously. Is that sure? I find no clue about the relationship between RMT and CS in User’s guide and original literatures.


Looking forward to your suggestions.

Thanks.

———————————————
Min Lin
2018 Ph. D student
Physical Chemistry 
Chemistry Department Chemistry & College of Chemistry and Chemical Engineering
Xiamen University
China
e-mail: linmin at stu.xmu.edu.cn