[Pw_forum] from read_namelists : error # 406

sbraccia carlo sbraccia at sissa.it
Wed Apr 28 11:09:32 CEST 2004

Dear Cyrille,
as you  can read in the pwdocs/INPUT_PW file you can only specify the 
starting_magnetization of a given atomic type and not that of a given atom. 
So, if you really need to specify the starting_magnetization on a precise 
atom, you have to consider that atom as belonging to a different atomic type 
that must be specified in the ATOMIC_SPECIES card using a different label 
(but the same pseudopot).
carlo sbraccia

On Wednesday 28 April 2004 09:07 am, Cyrille Barreteau wrote:
> dear pwscf users,
> I have met the following problem when running a spin polarized calculation.
> When I want to give a starting magnetization of atom i
> by setting starting_magnetization(i)=1.0
> I get the following error:
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>%%% from  read_namelists  : error #       406
>        reading namelist system
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> This happens only when i>10.
> Is there a limitation on the index i?
>    thanks
>       cyrille

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