[Pw_forum] spin dope

[Paolo Giannozzi]

On Jun 24, 2007, at 14:36 , Srijan Kumar Saha wrote:

>   Is it possible in PWSCF to add a certain number of free carriers
>   with a given spin (say only up spin electrons) in a particular  
> metal???
>   Which input flags I have to tune for that???

tot_magnetization (or, as an alternative, multiplicity) + tot_charge.
Obsolete but still working: nelup/neldw + nelec

Paolo
---
Paolo Giannozzi, Democritos and University of Udine, Italy