[Pw_forum] Spin Calculations.

Nguyen Chuong chuongnguyen11 at gmail.com
Mon May 5 17:38:38 CEST 2014


Hi Everyone.

As I know, Quantum Espresso can do spin-polarized (nspin = 2 in script) and
spin-unpolarized (nspin =1) calculations. But I have a question, that same
its mean with spin-unrestricted and spin-restricted wavefunctions?

Thanks.

-- 
Nguyen Van Chuong
PhD Student,
Department of Physics,
Don State Technical University.
Rostov on Don, Russia
Group Graphene
Email: chuongnguyen11 at gmail.com or cpuphys86 at gmail.com
Website: http://cpuphys86.webs.com/
Phone mobile: +7 905 45 94 888
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