DF Pseudopotential fit - CRYSTAL98 format ====================================== Element : H When : 13 Oct 04 INPUT 1.000 8 8 8 0 0 0 51.12765602 1.00000000 -1 38.05848906 -860.41240728 0 53.09217529 856.16893336 0 87.24713065 -24.75352251 1 47.30371580 75.88117853 1 66.60122289 701.67277614 2 31.48395950 184.49315365 2 44.57602586 11823.70897155 2 42.19606544 72908.49274926 0 64.76016325 -72911.49041629 0 60.08976831 58978.26353494 1 32.36584431 -1328.51373796 1 60.70509728 -57649.74979698 1 59.22146568 -906024.97839724 2 45.27807085 775467.73491857 2 45.87243832 -1514751.24754962 2 36.22716334 15535.62402053 0 59.66945807 -15536.80462190 0 68.17183180 -994.57198417 1 59.17959242 175197.77514989 1 59.12744243 -174203.20316572 1 54.59263207 -182099.42692688 2 33.46710322 -7638.40077659 2 41.66772309 -174523.29524115 2