[Pw_forum] Generate pseudopotential for Sb

[Lorenzo Paulatto]

On Tue, 02 Mar 2010 21:52:02 +0100, Vo, Trinh (388C)  
<Trinh.Vo at jpl.nasa.gov> wrote:
> I used ld1.x to generate PP for Sb.  I have problem with the 4d wfc.   
> When I plot the pseudized wfc and the all-electron wfc do not coincide  
> even though I try to change Rcut.  I am not if I made any mistake in the  
> input.    I tried both TM and RRKJ, but I could not fix the problem. I  
> appreciate if you could help me on this.  Below is my input:

Dear Trinh,
of course they do not coincide: they are called "pseudo" for a reason. The  
coincide only outside the ultra-soft cutoff radius. I've checked them with  
gnuplot and this is actually the case: everything is working well.

cheers


P.S.
>   author='abc’
The closing ' above is not an apostrophe, but one of those inverted  
apostrophes that msword puts in document (it caused my ld1.x to crash).


-- 
Lorenzo Paulatto

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