Dear wien2k users
I have checked many discussions about the difference between the SP and the
non SP calculations and I didn't find a sufficient explanation that removes
the ambiguity .
So I want to know the difference between the 2 calculations at the level of
imput and results for a non magneti
Hi,
I m working on some correlated system based on iron, and I m varying the U
with the SIC approximation.
As I see the J is taken always 0,and Ueff equal to the U we take, but in
the first test I did : if we take the same U with different J ,the results
will be different (especially the magnetic
Of course one can use U and J, instead of an U_eff ~ U-J.
But then you have 2 parameters
Please restrict J to physical meaningful values (~ 1 eV).
Am 18.10.2016 um 18:03 schrieb Hemza Kouarta:
Hi,
I m working on some correlated system based on iron, and I m varying the
U with the SIC appr
Dear wien2k users and developers,
I am facing an LAPW1 error while doing single point calculation. While
initialize my calculation interactively I encounter with small G-max
warning so I increased it to higher value. As the lapw1 crashed again and
again at the very first step so I initialize the
If you haven't already done so, I suggest looking at and comparing
slides 76 and 77 in the WIEN2k presentation "Relativistic effects,
non-collinear magnetism (NCM)", which can currently be found at
http://www.wien2k.at/onlineworkshop/
Of note, "sp" should be added under the magnetic case on sl
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