Paw atomic data for element Be - Generated by AtomPAW (N. Holzwarth) + AtomPAW2Abinit v3.2.0 4.000 4.000 20080729 : zatom,zion,pspdat 7 11 1 0 1256 0. : pspcod,pspxc,lmax,lloc,mmax,r2well paw4 1320 : pspfmt,creatorID 3 5 : basis_size,lmn_size 0 0 1 : orbitals 3 : number_of_meshes 1 2 1256 1.3717169794E-03 5.4868679176E-03 : mesh 1, type,size,rad_step[,log_step] 2 2 1251 1.3717169794E-03 5.4868679176E-03 : mesh 2, type,size,rad_step[,log_step] 3 2 1622 1.3717169794E-03 5.4868679176E-03 : mesh 3, type,size,rad_step[,log_step] 1.3045287852 : r_cut(PAW) 2 0. : shape_type,rshape ===== PHI 1 ===== [phi(r)=PHI(r)/r*Ylm(th,ph)] 1 : radial mesh index 0.0000000000000000E+00 1.1087590072248700E-04 2.2235504652996525E-04 3.3444067491227969E-04 4.4713604722108701E-04 5.6044444194516992E-04 6.7436915476359741E-04 7.8891349864419714E-04 9.0408080392817536E-04 1.0198744184160753E-03 1.1362977074543888E-03 1.2533540540225533E-03 1.3710468588203179E-03 1.4893795403554922E-03 1.6083555350320717E-03 1.7279782972387363E-03 1.8482512994377367E-03 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