1Call Chain for XC Routines 2-------------------------- 3 4getvxc.F (XC driver routine) 5 6 Case 1: vx_exact.F 7 8 Case 2: quadvxc0.F 9 10 qpts.F 11 12 qdist.F 13 14 int_eval_gbsets (1) 15 16 ibf_to_itri.F 17 18 becke.F ( <-- a_dist.F ) 19 20 rho_gen.F 21 22 dirac.F or becke88.F 23 vwn.F or lyp88.F 24 25 setACmat.F 26 27 tabcd.F 28 29 Case 3: quadvxc1.F 30 31 qpts.F 32 33 qdist.F 34 35 int_eval_gbsets (1) 36 37 ibf_to_itri.F 38 39 becke.F ( <-- a_dist.F ) 40 41 rho_gen.F 42 43 dirac.F or becke88.F 44 vwn.F or lyp88.F 45 46 setACmat.F 47 48 int_eval_gbsets (1) 49 50 tabcd.F 51 52 fitvxc.F 53 54Notes 55----- 56(1) int_eval_gbsets is an NWints routine. 57 58 59Additional Related Routines 60--------------------------- 61 eumac.F 62 gausquad.F 63 get2oi.F 64