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[shinekin <shinekin@hotmail.com>]

Thanks Mr.Gonze very much,and thanks all for your attention!
 
 May Mr.Verstraete had given me some hints in my question that I 
 
post previously(http://www.abinit.org/wws/arc/forum/2007-07/msg00061.html).
 
Now I have made it clear. :-)
 
It seems that there is no explicit limits on the highest angular momentum while perform pdos calculation,
 
whether or not it means that the electrons which I treat as valence states are just depends on
 
my personal interesting ?
 
   Thanks in advance!

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> From: gonze@pcpm.ucl.ac.be
> Date: Sat, 21 Jul 2007 19:19:50 +0200
> To: forum@abinit.org
> Subject: Re: [abinit-forum] the different highest angular momentum between pdos calculation and .psp file
> 
> Dear Shinekin,
> 
> On 21 Jul 2007, at 10:31, shinekin wrote:
> 
> > Dear abinit users,
> >
> > After i run the pdos calculation, i got 5 differents angular 
> > momentum datas,from l=0 to 4. but from the .psp file of the element i
> >
> > calculated ,i know that the lmax=3, Does it means that the datas i 
> > needed are just s,p,d,f ? Why the g angular momentum were
> >
> > generated by the abinit since there is no defination about l=4 in 
> > the .psp file?
> 
> The pseudopotential file contains a local part (that act on all 
> angular momentum channels, well beyond g),
> as well as some non-local separable cor
 rections for s,p,d,f channels 
> at most.
> Then, the wavefunction are described with plane waves, that include 
> "all" angular momentum channels,
> from l=0 to the largest allowed by the kinetic energy cut-off, 
> definitely well beyond g .
> So, there is no real difficulty in computing pdos for l=0 to 4 while 
> the pseudopotential files contain
> non-local separable parts only for s, p, d and f channels at most.
> 
> Best,
> X.

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