[Pw_forum] how to generate the pseudopotential using virtual.x

[Stefano Baroni]

Dear Junjie:

I do not know whether the distribution contains a ready-to-use tool.  
At the very worse, it contains a routine for cubic spline  
interpolation that, although not commented, is rather self- 
explanatory. If you do not know what sline interpolation is, the  
wikipedia is your friend

http://en.wikipedia.org/wiki/Spline_%28mathematics%29

in case you do not have access to wikipedia, you can try mathworld:

http://mathworld.wolfram.com/Spline.html

Stefano (another one!) B.

On Sep 24, 2007, at 5:39 AM, wangjunjie1981_0 wrote:

>
> Dear Stefano
>   Thank you for your advice, i can understand your ideas.But i have  
> a question how to achive the interpolation.Is it included in PWSCF  
> program or generated by other special program? How can i have or  
> find ? I hope your help again, Thank you very much I will give back  
> to the community about the testing results.
>
>
> Best regards
> Junjie Wang
>
>
> 杀70万种木马病毒，瑞星2008版免费
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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