[QE-users] [SPAM] "Paratec" and "Eq.(7)" in output of g tensor

[Davide Ceresoli]

The spin-other-orbit is defined in Eq 7 of PRL 88, 086403.
The first tensor is the trivial definition. The "a la paratec"
method tries to cancel the self-interaction of the unpaired
electron, as explained in the paragraph following Eq.7

HTH.

D.


On 9/2/22 13:46, 王禹齐 wrote:
> Dear all,
> I am a beginner of QE. I want to calculate the g tensor of a paramagnetic 
> system.After I set the  job = 'g_tensor' in gipaw, I get the outpt file. However 
> the result shows two result,"Delta_g total (SOO a la Paratec)" and "Delta_g 
> total (SOO as in Eq.(7))".
> I don't know the difference and what is "a la paratec".
> 
> 
> Any help/suggestion is highly appreciated.