[Pw_forum] how to generate the pseudopotential using virtual.x
baroni at sissa.it
Mon Sep 24 09:15:56 CEST 2007
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
in case you do not have access to wikipedia, you can try mathworld:
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
> Pw_forum mailing list
> Pw_forum at pwscf.org
Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center -
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)
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