[Pw_forum] starting_magnetization problem

[Huiqun Zhou]

The manual is a little bit misleading. It just says implicitly: don't
let both tot_magnetization and starting_magnetization appear in
your input file simutanously, they are mutual exclusive. For your
purpose, you just need to define starting_magnetization and don't
bother yourself with defining tot_magnetization = -1 in the input,
which is not allowed according to your practice although it should
be OK logically.

huiqun zhou
@earth sciences, nanjing university, china

----- Original Message ----- 
From: "Weyl Fang" <weylfang at gmail.com>
To: <pw_forum at pwscf.org>
Sent: Sunday, July 25, 2010 1:29 PM
Subject: [Pw_forum] starting_magnetization problem


> Dear all,
>
> Recently i want to do a spin polarization calculation. After I read the
> pw.x input file description, i know if i set the tot_magnetization to
> unspecified the amount of electronic magnetization is determined during
> the self-consistent cycle. So i set the tot_magnetization to
> unspecified. But when i execute pw.x, i get a error message some
> starting_magnetization MUST be set. But i get the message" If you fix
> the magnetization with "tot_magnetization", you should not specify
> starting_magnetization." from the pw.x input file description. If i
> still should specify the starting_magnetization? And If i want the
> amount of electronic magnetization determined during the self-consistent
> cycle, how should i specify the starting_magnetization?
>
> Thanks for your help!
>
> Weyl
>
> ===========================================================================
>
> Weyl FANG
> Graduate student in Chemical Engineering
> State Key Laboratory of Materials-oriented Chemical Engineering
> College of Chemistry and Chemical Engineering
> Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
> ****************************************************************************************************************
> Email: weylfang at gmail.com
> Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, 
> Nanjing, Jiangsu, China
> ********************************************************************* 
> *******************************************
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>