[QE-users] AFM configuration in Quantum Espresso

Lorenzo Paulatto paulatz at gmail.com
Sat Jul 21 10:53:56 CEST 2018


On 07/21/2018 09:26 AM, Rita Maji wrote:
> Hi Ruchika,
> you can define using "starting_magnetization" for each atomic sites , 

Just a precision: starting_magnetization is defined for each atom TYPE, 
not site. If you want atoms of the same element at different sites to 
have different starting magnetization, you must define them as different 
species.

kind regards

-- 
Lorenzo Paulatto - Paris


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