[Wien] How to calculate the electrostatic potential ?

Robert Laskowski rolask at theochem.tuwien.ac.at
Tue Jul 21 09:18:41 CEST 2009


Hi,
you can generate it with lapw0, use corect switch in the first line of in0, it is in manual.

regards

Robert

On Tuesday 21 July 2009 05:08:23 蔡孟秋 wrote:
> 
> Dear wien user:
> 
>     I want to get the electrostatic potential in a crystal along the z-axis. Please tell me how to di it. Thank you in advance!
> 
>  
> 
> MengQiu Cai
> 
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-- 
Dr Robert Laskowski

Vienna University of Technology, 
Institute of Materials Chemistry, 
Getreidemarkt 9/165-TC, A-1060 Vienna

tel. +43 1 58801 15686
Fax  +43 1 58801 15698


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