DF Pseudopotential fit - CRYSTAL98 format ====================================== Element : S When : 13 Oct 04 INPUT 6.000 8 8 8 0 0 0 6.12318980 6.00000000 -1 3.29277234 623.48558144 0 7.37716280 -636.77403246 0 2.59181236 108.28183576 1 2.35604362 -71.54269696 1 4.83777883 986.29634874 2 6.24409896 -1717.06376595 2 4.19484369 -1913.82221130 2 3.71021491 -15135.03764225 0 6.97947451 15148.57423412 0 18.19146409 12.86140660 1 4.59489717 -9971.74553861 1 4.57314997 9958.88413201 1 3.48040462 1518.43273494 2 4.49403418 23576.48899938 2 6.29080493 24479.92359028 2 5.54536288 -1755.22853691 0 2.70713065 1763.99108830 0 3.06396940 -3549.53941936 1 3.78406336 10323.76293075 1 4.15977635 -6774.22351139 1 4.22558219 -4970.94714251 2 11.93822845 -47.04789486 2 13.84983079 59.97019807 2