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/dports/science/xtb/xtb-6.4.1/src/xtb/
H A Dhalogen.f9045 real(wp) :: cc,r0ax,t13,t14,t16 local
67 r0ax=halData%radScale*(halData%atomicRad(ati)+halData%atomicRad(atj))
79 t13 = r0ax/rax
97 r0ax=halData%radScale*(halData%atomicRad(ati)+halData%atomicRad(atj))
115 t14 = (r0ax/rax)**lj2 ! (rov/r)^lj2 ; lj2 = 6 in GFN1