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
_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
