[Pw_forum] Problem with concept of parameters in pseudopotentials

[bahaareh tavakoli nejad]

I'm trying calculate density of state and other quantities for SrS but i
have problems about concept of different parameters in pseudopotentials, for
example on top of Teter pseudopotential we have :

(Ar+3d10) + 4s2 4p6 5s0 4d0; rcs=rcp=rcd=1.7, no chem-hard, exnc(11);ecut
25/34
 38.00000  10.00000  950923      z,zion,pspdat
 4         3         2   2      2001    0
pspcod,pspxc,lmax,lloc,mmax,r2well
 0  0  0   2    1.69654886360351576          l,e99.0,e99.9,nproj,rcpsp:
 .000 .000 .000 .000                         rms,ekb1,ekb2,epsatm
 1  0  0   2    1.69654886360351576          l,e99.0,e99.9,nproj,rcpsp
 .000 .000 .000 .000                         rms,ekb1,ekb2,epsatm
 2  0  0   0    1.69654886360351576          l,e99.0,e99.9,nproj,rcpsp
 .000 .000 .000 .000                         rms,ekb1,ekb2,epsatm
 .000   .000   .000                          rchrg,fchrg,qchrg
 0 = l

is the first line of this pseudopotenial means that only 8 valence electrons
are used in calculations (for example calculation of density of states,
bandstructure....)and 4d and 5s orbitals are empty and don't participate in
calculation?

Thanks
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110406/0dbcdf71/attachment.html>