[Re:02] Magnetic Moment in LMD state, Improvement on Curie Temperature, Atoms position in the unit cell

Posted on : January 09, 2019 (Wed) 23:47:49

by Mohammad Saidur Rahman

Hello Mr. Hitoshi GOMI,

Thanks a lot for your answers.

Don't you think "number of atoms in the unit cell" for the acronym "natm", as stated in the manual, for a crystal structure system in concern, is slightly misleading?

Other questions: About those two vacancies in GaAs system- those are definitely empty spheres, right? Or are they defects?
Can I place them in other places in the unit cell except (0.5,0.5,0.5) and (0.75,0.75,0.75) or introduce more empty spheres other than only two?

Sincerely,
Mohammad Saidur Rahman