[Pw_forum] Magnetization

Padmaja Patnaik padmaja_patnaik at yahoo.co.uk
Wed May 4 15:32:44 CEST 2011

Dear All

In the scf calculations the output file gives the total and absolute magnetization. As per my knowledge magnetization is defined as the total magnetic moment of the cell divided  by the volume of the cell. When I look into the code I couldn't see this formula for calculating magnetization. What I observe is the rho_up - rho_down is the magnetization. Then this should be treated as magnetic moment of the cell not the magnetization. I shall be thankful if anybody can please explain this.

Padmaja Patnaik

Research Scholar

Dept of Physics

IIT Bombay

Mumbai, India
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