[Pw_forum] problem in lderiv curves for Sr pseuopotentials

[Lorenzo Paulatto]

On Mon, 29 Aug 2011 17:19:14 +0200, karan deep <karandeepster at gmail.com>  
wrote:
> i don't know why logarithmic derivatives are showing extra what u can  
> call them spikes in original wave functions. i am attaching my input as  
> well as ldplot files here

the original (all-electron) wave functions have nodes, hence the  
logarithmic derivatives (phi'(r)/phi(r)) have spikes (divergencies)


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Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
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