*cd lsthleps ** common / leps / de(3), beta(3), r0(3), delta(3), vbase *cd lsthpotc ** common / potcom / c6,c8, rkw(87), ekw(87), wkw(87) *dk lsth subroutine lsth(potntl,dist) c implicit real*8 (a-h,o-z) c returns the h3 lsth surface in au relative to bottom of asymptotic well. *ca lsthpotc,lsthleps common / leps / de(3), beta(3), r0(3), delta(3), vbase common / potcom / c6,c8, rkw(87), ekw(87), wkw(87) dimension dist(3) external lsthdata data ncall / 0 / data conv1, conv2, conv3 / .529177249d-8, 27.2113961d0, > 1.60217733d-12 / if ( ncall .gt. 0 ) go to 1 do 100 i = 1, 87 rkw(i) = rkw(i)/conv1 ekw(i) = ekw(i)/(conv2*conv3) wkw(i) = wkw(i)/(conv2*conv3)*conv1*conv1 100 continue c6 = c6/(conv2*conv3*conv1**6) c8 = c8/(conv2*conv3*conv1**8) ncall = 1 1 continue c unblock the next two cards to clip the potential. potntl=10.0d0 if(min(dist(1),dist(2),dist(3)).lt.0.001d0) return call lsthpot ( dist, v ) potntl = v c convert to au from bottom of h2 well. potntl = (potntl+0.174475d0) return end