[Pw_forum] how to set nr1b, nr2b, nr3b for cp.x when using ultrasoft pseudopotential

[vega lew]

Dear sir,

thank you for your information.

could anyone tell me something about how to visualize the geometry of the
output file?
Is there a small tool to read the output file directly instead of converting
the XYZ coordinations into another format and feeding it to VMD or VEGAZZ?

thank you in advance.

best wishes.

vega

On Wed, Nov 18, 2009 at 3:00 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Nov 18, 2009, at 6:17 , vega lew wrote:
>
> > I have a question about the option "nr1b, nr2b, nr3b" in &SYSTEM
> > namelist.
> > Could you please tell me something more about it?
>
> http://www.quantum-espresso.org/user_guide/node30.html
> >
>
>
> P.
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
> _______________________________________________
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>



-- 
==================================================================================
Vega Lew ( weijia liu)
Graduate student
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
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Email: vegalew at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
Jiangsu, China
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