The ABINIT Users Mailing List ( CLOSED )

[jjjun97@korea.com]

Hi, abinit user?
This is oxygen pseudopotential header.

Compromise psp for oxygen with rc=1.5 ec=25 double reference
8.000 6.000 980710 zatom,zion,pspdat
5 3 1 1 600 0 pspcod,pspxc,lmax,lloc,mmax,r2well
0.999999999999999955E-06 0.307523885541775704E-01 1 r1,al, pspso
0 0 0 2 1.49157651759552068 l,e99.0,e99.9,nproj,rcpsp
0 0 0 0 rms,ekb1,ekb2,epsatm
1 0 0 0 1.49157651759552068 l,e99.0,e99.9,nproj,rcpsp
0 0 0 0 rms,ekb1,ekb2,epsatm
0 0 0 rchrg,fchrg,qchrg
0 = l
-6.2921423009631701E+00 -6.2921423009628246E+00 -6.2921423009624577E+00
-6.2921423009620687E+00 -6.2921423009616531E+00 -6.2921423009612116E+00
-6.2921423009607418E+00 -6.2921423009602435E+00 -6.2921423009597133E+00
-6.2921423009591493E+00 -6.2921423009585498E+00 -6.2921423009579112E+00
-6.2921423009572326E+00 -6.2921423009565123E+00 -6.2921423009557449E+00
-6.2921423009549287E+00 -6.2921423009540609E+00 -6.2921423009531381E+00
-6.2921423009521575E+00 -6.2921423009511139E+00 -6.2921423009500028E+00
-6.2921423009488233E+00 -6.2921423009475683E+00 -6.2921423009462343E+00
-6.2921423009448150E+00 -6.2921423009433060E+00 -6.2921423009417001E+00
-6.2921423009399948E+00 -6.2921423009381794E+00 -6.2921423009362503E+00
.
.
.

Can you explain header file and number below the header?

From Jun Hee Lee in Seoul Nationa Univ., Korea