[Wien] The unit of -kbT option
Peter Blaha
pblaha at theochem.tuwien.ac.at
Wed Jun 28 10:07:42 CEST 2017
It is in Ry.
So -kbt 0.004 corresponds to 4 mRy.
On 06/28/2017 09:37 AM, Wien2k User wrote:
> Dear Wien2k users;
>
>
> The unit of -kbT "xxx" in NMR calculation is mRy or Ry.
>
>
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P.Blaha
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