[Pw_forum] a question about the adsorption of 3d atoms on a surface with spin -polarized calculations

[Lorenzo Paulatto]

On 06/24/2013 01:42 PM, sufyan wrote:
> My question is if this way right or not ?

Dear Sufyan,
you do not provide sufficient information on your method to give a 
definitive answer. It's important to know if you enforce the different 
magnetizations, or only set them as initial conditions. In the latter 
case, it is important to check that the final state actually retains the 
magnetization you asked for.

best regards

-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone:+33 (0)1 44275 084 / skype: paulatz
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