RHENIUM BASIS SETS FOR THE CRYSTAL PROGRAM ========================================== TCM CRYSTAL basis set library: https://vallico.net/mike_towler/crystal.html Title: Rhenium Comments: Free effective core pseudopotential basis set optimized in cubic ReO3, using an 8-51G basis set for the oxygen atom Ref: F.Cora', Ph.D. thesis 275 4 INPUT 7. 6 6 5 6 0 341.4416283 -0.1497104 -2 115.4634850 -43.8574528 -1 40.5580378 -229.7901906 0 11.2759241 -101.3640312 0 3.3967771 -23.5051700 0 1.1070830 -3.6178541 0 101.0857749 2.7555091 -2 34.2983377 70.6591389 -1 11.5707921 178.7034878 0 3.3540317 50.1066112 0 0.7432483 22.0145213 0 0.6011833 -8.5755035 0 94.6617320 1.8966314 -2 30.8125403 54.7084064 -1 9.9084101 131.5647971 0 2.6363334 30.9572952 0 0.6257650 9.5032921 0 83.9171495 2.9393809 -2 31.2351625 53.4995776 -1 11.3300093 138.2787174 0 2.8056816 61.4189098 0 2.2303172 -23.6282276 0 0.3547500 -0.2989651 0 0 1 1 1.0 1.0 0.6 1.0 1.0 0 1 1 0.0 1.0 0.2 1.0 1.0 0 3 3 3.0 1.0 1.241 0.111 0.991 0.313 0.365 0.487 0 3 1 0.0 1.0 0.235 1.0