[Pw_forum] Starting magnetization

[Axel Kohlmeyer]

On Thu, 15 May 2008, Álvaro Alves wrote:

AA> Hello everyone. Is there a limit to the definition of

hello alvaro,

AA> different atomic species for the same type atomic. For
AA> example, N1 N2, N2, N4. I need this procedure for
AA> several atomic type (N, O, C).

yes. the parameter ntypx determins the maximum number 
of atom type entries. it is set in Modules/parameters.f90
and the default value is 10.

cheers,
   axel.


AA> 
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AA> 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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