DF Pseudopotential fit - GAUSSIAN98 format ====================================== Element : Zr When : 13 Oct 04 Vd 8 1 4.99643466 4.00000000 2 0.75837154 -44.66035989 2 3.86884399 36.30433930 3 1.08052720 -31.13435417 3 1.64940511 51.12009281 4 1.03022005 40.15568722 4 2.06728358 36.63902683 4 4.15546098 29.79196493 Vs - Vd 8 2 0.95576272 -1021.67770210 2 2.16524012 1029.68602786 3 1.04092018 357.35676697 3 1.67748204 -615.74665886 3 2.54118291 258.38989189 4 1.08714705 190.72826528 4 1.77857218 1090.33933063 4 5.10575474 -28.03155621 Vp - Vd 8 2 0.93478153 18499.62484383 2 1.65871329 -18492.69396718 3 0.72115346 -164.41687605 3 2.41420237 -25.96229874 3 0.96224916 190.37917479 4 1.07145941 -11039.28799394 4 1.48189800 -7268.95767790 4 1.06256521 4927.27603620