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int2spd2.F90
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int2spd2.F90
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! Copyright 2014-2021 Kazuya Ishimura
!
! Licensed under the Apache License, Version 2.0 (the "License");
! you may not use this file except in compliance with the License.
! You may obtain a copy of the License at
!
! http:https://www.apache.org/licenses/LICENSE-2.0
!
! Unless required by applicable law or agreed to in writing, software
! distributed under the License is distributed on an "AS IS" BASIS,
! WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
! See the License for the specific language governing permissions and
! limitations under the License.
!
!--------------------------------------------------------------------------
subroutine int2ddpp(phmdint,exfac1,exfac2,xyziq,xzkl,rot,nijkl,nbfijkl)
!--------------------------------------------------------------------------
!
! Calculate (dd|pp) integrals
!
! In : exfac12, exfac34 (exponents and coefficients of primitive pair functions)
! xyziq (x,y,z elements of i and q)
! xzkl (x,z elements of k and l)
! nij, nkl (number of primitive pair functions)
! Out : phmdint (two-electron integral)
!
use fmtgrid, only : fgrid, threshtval
implicit none
integer,intent(in) :: nijkl(2), nbfijkl(4)
integer :: ij, kl, igrid, i, j, k, l, ii, ijcycle
real(8),parameter :: zero=0.0D+00, one=1.0D+00, sqrtpi4=0.8862269254527580D+00
real(8),parameter :: half=0.5D+00, two=2.0D+00, three=3.0D+00, four=4.0D+00, five=5.0D+00
real(8),parameter :: six=6.0D+00, seven=7.0D+00, eight=8.0D+00, nine=9.0D+00, ten=1.0D+01
real(8),parameter :: p11=1.1D+01, p15=1.5D+01, p45=4.5D+01
real(8),parameter :: sqrt3=1.73205080756888D+00, sqrt3h=8.660254037844386D-01
real(8),intent(in) :: exfac1(5,*), exfac2(5,*)
real(8),intent(in) :: xyziq(3,*), xzkl(2), rot(3,3)
real(8),intent(out) :: phmdint(6,6,6,6)
real(8) :: tval, tval2, tval3, tval4, tval5, tval6, tval7, tval8, tval9, tval10
real(8) :: tinv, ft(0:6)
real(8) :: f0(2), f1(2,5), f2(3,5), f3(4,5), f4(5,5), f5(6,3), f6(7), ftw(6,5)
real(8) :: r0(10), r1(3,18), r2(6,21), r3(10,16), r4(15,10), r5(21,4), r6(28)
real(8) :: ex12, ex34, ex43, ex14, ex41, expq, expq2, expq4, ex3q, ex4q, c12, c34, zip
real(8) :: xiq, yiq, ziq, xiq2, yiq2, xyiq, xiq4, yiq4, xyiq2, xiq6, yiq6, x4y2, x2y4
real(8) :: xypq2, zpq, zpq2, zpq3, zpq4, zpq5, fac, ex33q, ex34q, ex44q, zjp
real(8) :: pmd, qmd, qmd2, qmd3, qmd4, qmd4x, qmd4y, qmd4xy
real(8) :: qx, qz, xx, xz, zz, xxx, xxz, xzz, zzz, xxxx, xxxz, xxzz, xzzz, zzzz
real(8) :: eri(6,6,3,3), work(15), f1w(3,4), f2w(6,5), f3w(10,5), f4w(15,5), f5w(21,3)
real(8) :: rot2(6,6), rot3(6,5)
real(8) :: rrr(15), rxyz(45)
!
! Zero-clear
!
r0(1:10) = zero
r1(1:3 ,1:18)= zero
r2(1:6 ,1:21)= zero
r3(1:10,1:16)= zero
r4(1:15,1:10)= zero
r5(1:21,1:4) = zero
r6(1:28) = zero
!
do kl= 1,nijkl(2)
ex34= exfac2(1,kl)
ex43= exfac2(2,kl)
ex3q= exfac2(3,kl)
ex4q= exfac2(4,kl)
c34 = exfac2(5,kl)
xiq = xyziq(1,kl)
yiq = xyziq(2,kl)
ziq = xyziq(3,kl)
xiq2= xiq*xiq
yiq2= yiq*yiq
xyiq= xiq*yiq
xiq4= xiq2*xiq2
yiq4= yiq2*yiq2
xyiq2= xiq2*yiq2
xiq6 = xiq4*xiq2
yiq6 = yiq4*yiq2
x4y2 = xiq4*yiq2
x2y4 = xiq2*yiq4
xypq2= xiq2+yiq2
f0(1:2) = zero
f1(1:2,1:5)= zero
f2(1:3,1:5)= zero
f3(1:4,1:5)= zero
f4(1:5,1:5)= zero
f5(1:6,1:3)= zero
f6(1:7) = zero
do ij= 1,nijkl(1)
ex12= exfac1(1,ij)
pmd = exfac1(2,ij)
zjp = exfac1(3,ij)
zip = exfac1(4,ij)
c12 = exfac1(5,ij)
ex14= ex12+ex34
zpq = ziq-zip
zpq2= zpq*zpq
expq= ex12*ex34
tval=(xypq2+zpq2)*expq
!
! Calculate Fm(T)
!
if(tval >= threshtval*ex14) then
tinv= one/sqrt(tval)
ft(0)= c12*sqrtpi4*tinv
expq= expq*tinv*tinv
ft(1)= ft(0)*expq
ft(2)= ft(1)*expq*three
ft(3)= ft(2)*expq*five
ft(4)= ft(3)*expq*seven
ft(5)= ft(4)*expq*nine
ft(6)= ft(5)*expq*p11
else
ex41= one/sqrt(ex14)
tval= tval*ex41*ex41
igrid= int(tval)
tval2= tval *tval
tval3= tval2*tval
tval4= tval2*tval2
tval5= tval2*tval3
tval6= tval3*tval3
tval7= tval4*tval3
tval8= tval4*tval4
tval9= tval4*tval5
tval10=tval5*tval5
do ii= 0,6
ft(ii)= fgrid(0,ii,igrid) +fgrid( 1,ii,igrid)*tval +fgrid( 2,ii,igrid)*tval2 &
& +fgrid(3,ii,igrid)*tval3+fgrid( 4,ii,igrid)*tval4 +fgrid( 5,ii,igrid)*tval5 &
& +fgrid(6,ii,igrid)*tval6+fgrid( 7,ii,igrid)*tval7 +fgrid( 8,ii,igrid)*tval8 &
& +fgrid(9,ii,igrid)*tval9+fgrid(10,ii,igrid)*tval10
enddo
fac= c12*ex41
expq= expq*two*ex41*ex41
expq2= expq*expq
expq4= expq2*expq2
ft(0)= ft(0)*fac
ft(1)= ft(1)*fac*expq
ft(2)= ft(2)*fac*expq2
ft(3)= ft(3)*fac*expq2*expq
ft(4)= ft(4)*fac*expq4
ft(5)= ft(5)*fac*expq4*expq
ft(6)= ft(6)*fac*expq4*expq2
endif
zpq3= zpq2*zpq
zpq4= zpq2*zpq2
zpq5= zpq2*zpq2*zpq
ftw(1,1)= zjp*zip
ftw(1,2)= pmd
ftw(1,3)= pmd*zjp
ftw(1,4)= pmd*zip
ftw(1,5)= pmd*pmd
do i= 1,5
ftw(2,i)= ftw(1,i)*zpq
ftw(3,i)= ftw(1,i)*zpq2
ftw(4,i)= ftw(1,i)*zpq3
ftw(5,i)= ftw(1,i)*zpq4
ftw(6,i)= ftw(1,i)*zpq5
enddo
f0(1)= f0(1)+ft(0)*ftw(1,1)
f0(2)= f0(2)+ft(0)*ftw(1,2)
do i= 1,4
f1(1,i)= f1(1,i)-ft(1)*ftw(1,i)
f1(2,i)= f1(2,i)-ft(1)*ftw(2,i)
enddo
f1(1,5)= f1(1,5)-ft(1)*ftw(1,5)
do i= 1,5
f2(1,i)= f2(1,i)+ft(2)*ftw(1,i)
f2(2,i)= f2(2,i)+ft(2)*ftw(2,i)
f2(3,i)= f2(3,i)+ft(2)*ftw(3,i)
enddo
do i= 1,5
do j= 1,4
f3(j,i)= f3(j,i)-ft(3)*ftw(j,i)
enddo
enddo
do i= 1,5
do j= 1,5
f4(j,i)= f4(j,i)+ft(4)*ftw(j,i)
enddo
enddo
do i= 1,3
do j= 1,6
f5(j,i)= f5(j,i)-ft(5)*ftw(j,i+2)
enddo
enddo
f6(1)= f6(1)+ft(6)*ftw(1,5)
f6(2)= f6(2)+ft(6)*ftw(2,5)
f6(3)= f6(3)+ft(6)*ftw(3,5)
f6(4)= f6(4)+ft(6)*ftw(4,5)
f6(5)= f6(5)+ft(6)*ftw(5,5)
f6(6)= f6(6)+ft(6)*ftw(6,5)
f6(7)= f6(7)+ft(6)*ftw(6,5)*zpq
enddo
!
qmd = ex43*c34
qmd2= qmd*ex43
qmd3= qmd*ex43*ex43
qmd4= qmd*ex43*ex43*ex43
ex33q= ex3q*ex3q
ex34q= ex3q*ex4q
ex44q= ex4q*ex4q
qmd4x= qmd4*xiq
qmd4y= qmd4*yiq
qmd4xy=qmd4*xiq*yiq
!
work( 1)= qmd2
work( 2)= qmd*ex33q
work( 3)= qmd*ex34q
work( 4)= qmd*ex44q
work( 5)= ex33q*ex44q*c34
work( 6)= qmd2*ex3q
work( 7)= qmd2*ex4q
work( 8)= qmd*ex34q*ex3q
work( 9)= qmd*ex34q*ex4q
work(10)= qmd3
work(11)= qmd2*ex33q
work(12)= qmd2*ex34q
work(13)= qmd2*ex44q
work(14)= qmd3*ex3q
work(15)= qmd3*ex4q
!
do i= 1,5
r0(i )= r0(i )+f0(1)*work(i)
r0(i+5)= r0(i+5)+f0(2)*work(i)
enddo
!
do i= 1,4
f1w(1,i)= f1(1,i)*xiq
f1w(2,i)= f1(1,i)*yiq
f1w(3,i)= f1(2,i)
enddo
do i= 1,4
do j= 1,3
r1(j,i )= r1(j,i )+f1w(j,1)*work(i+5)
r1(j,i+4)= r1(j,i+4)+f1w(j,2)*work(i+5)
enddo
enddo
do i= 1,5
do j= 1,3
r1(j,i+ 8)= r1(j,i+ 8)+f1w(j,3)*work(i)
r1(j,i+13)= r1(j,i+13)+f1w(j,4)*work(i)
enddo
enddo
!
do i= 1,5
f2w(1,i)= f2(1,i)*xiq2+f1(1,i)
f2w(2,i)= f2(1,i)*yiq2+f1(1,i)
f2w(3,i)= f2(3,i) +f1(1,i)
f2w(4,i)= f2(1,i)*xyiq
f2w(5,i)= f2(2,i)*xiq
f2w(6,i)= f2(2,i)*yiq
enddo
do i= 1,4
do j= 1,6
r2(j,i )= r2(j,i )+f2w(j,1)*work(i+9)
r2(j,i+ 4)= r2(j,i+ 4)+f2w(j,2)*work(i+9)
r2(j,i+ 8)= r2(j,i+ 8)+f2w(j,3)*work(i+5)
r2(j,i+12)= r2(j,i+12)+f2w(j,4)*work(i+5)
enddo
enddo
do i= 17,21
do j= 1,6
r2(j,i)= r2(j,i)+f2w(j,5)*work(i-16)
enddo
enddo
!
do i= 1,5
f3w( 1,i)=(f3(1,i)*xiq2+f2(1,i)*three)*xiq
f3w( 2,i)=(f3(1,i)*xiq2+f2(1,i) )*yiq
f3w( 3,i)=(f3(2,i)*xiq2+f2(2,i) )
f3w( 4,i)=(f3(1,i)*yiq2+f2(1,i) )*xiq
f3w( 5,i)=(f3(2,i)*xyiq )
f3w( 6,i)=(f3(3,i) +f2(1,i) )*xiq
f3w( 7,i)=(f3(1,i)*yiq2+f2(1,i)*three)*yiq
f3w( 8,i)=(f3(2,i)*yiq2+f2(2,i) )
f3w( 9,i)=(f3(3,i) +f2(1,i) )*yiq
f3w(10,i)=(f3(4,i) +f2(2,i)*three)
enddo
do i= 1,2
do j= 1,10
r3(j,i )= r3(j,i )+f3w(j,1)*work(i+13)
r3(j,i+2)= r3(j,i+2)+f3w(j,2)*work(i+13)
enddo
enddo
do i= 1,4
do j= 1,10
r3(j,i+ 4)= r3(j,i+ 4)+f3w(j,3)*work(i+9)
r3(j,i+ 8)= r3(j,i+ 8)+f3w(j,4)*work(i+9)
r3(j,i+12)= r3(j,i+12)+f3w(j,5)*work(i+5)
enddo
enddo
!
do i= 1,5
f4w( 1,i)=(f4(1,i)*xiq4 +f3(1,i)*xiq2*six +f2(1,i)*three)
f4w( 2,i)=(f4(1,i)*xiq2 +f3(1,i)*three )*xyiq
f4w( 3,i)=(f4(2,i)*xiq2 +f3(2,i)*three )*xiq
f4w( 4,i)=(f4(1,i)*xyiq2+f3(1,i)*xiq2+f3(1,i)*yiq2+f2(1,i) )
f4w( 5,i)=(f4(2,i)*xiq2 +f3(2,i) )*yiq
f4w( 6,i)=(f4(3,i)*xiq2 +f3(1,i)*xiq2+f3(3,i) +f2(1,i) )
f4w( 7,i)=(f4(1,i)*yiq2 +f3(1,i)*three )*xyiq
f4w( 8,i)=(f4(2,i)*yiq2 +f3(2,i) )*xiq
f4w( 9,i)=(f4(3,i) +f3(1,i) )*xyiq
f4w(10,i)=(f4(4,i) +f3(2,i)*three )*xiq
f4w(11,i)=(f4(1,i)*yiq4 +f3(1,i)*yiq2*six +f2(1,i)*three)
f4w(12,i)=(f4(2,i)*yiq2 +f3(2,i)*three )*yiq
f4w(13,i)=(f4(3,i)*yiq2 +f3(1,i)*yiq2+f3(3,i) +f2(1,i) )
f4w(14,i)=(f4(4,i) +f3(2,i)*three )*yiq
f4w(15,i)=(f4(5,i) +f3(3,i)*six +f2(1,i)*three)
enddo
do j= 1,15
r4(j,1)= r4(j,1)+f4w(j,1)*qmd4
r4(j,2)= r4(j,2)+f4w(j,2)*qmd4
enddo
do i= 1,2
do j= 1,15
r4(j,i+2)= r4(j,i+2)+f4w(j,3)*work(i+13)
r4(j,i+4)= r4(j,i+4)+f4w(j,4)*work(i+13)
enddo
enddo
do i= 7,10
do j= 1,15
r4(j,i)= r4(j,i)+f4w(j,5)*work(i+3)
enddo
enddo
!
do i= 1,3
f5w( 1,i)=(f5(1,i)*xiq4 +f4(1,i+2)*xiq2*ten +f3(1,i+2)*p15 )*xiq
f5w( 2,i)=(f5(1,i)*xiq4 +f4(1,i+2)*xiq2*six +f3(1,i+2)*three)*yiq
f5w( 3,i)=(f5(2,i)*xiq4 +f4(2,i+2)*xiq2*six +f3(2,i+2)*three)
f5w( 4,i)=(f5(1,i)*xyiq2+f4(1,i+2)*xiq2+f4(1,i+2)*yiq2*three+f3(1,i+2)*three)*xiq
f5w( 5,i)=(f5(2,i)*xiq2 +f4(2,i+2)*three )*xyiq
f5w( 6,i)=(f5(3,i)*xiq2 +f4(1,i+2)*xiq2+f4(3,i+2)*three +f3(1,i+2)*three)*xiq
f5w( 7,i)=(f5(1,i)*xyiq2+f4(1,i+2)*xiq2*three+f4(1,i+2)*yiq2+f3(1,i+2)*three)*yiq
f5w( 8,i)=(f5(2,i)*xyiq2+f4(2,i+2)*xiq2+f4(2,i+2)*yiq2 +f3(2,i+2) )
f5w( 9,i)=(f5(3,i)*xiq2 +f4(1,i+2)*xiq2+f4(3,i+2) +f3(1,i+2) )*yiq
f5w(10,i)=(f5(4,i)*xiq2 +f4(2,i+2)*xiq2*three+f4(4,i+2) +f3(2,i+2)*three)
f5w(11,i)=(f5(1,i)*yiq4 +f4(1,i+2)*yiq2*six +f3(1,i+2)*three)*xiq
f5w(12,i)=(f5(2,i)*yiq2 +f4(2,i+2)*three )*xyiq
f5w(13,i)=(f5(3,i)*yiq2 +f4(1,i+2)*yiq2+f4(3,i+2) +f3(1,i+2) )*xiq
f5w(14,i)=(f5(4,i) +f4(2,i+2)*three )*xyiq
f5w(15,i)=(f5(5,i) +f4(3,i+2)*six +f3(1,i+2)*three)*xiq
f5w(16,i)=(f5(1,i)*yiq4 +f4(1,i+2)*yiq2*ten +f3(1,i+2)*p15 )*yiq
f5w(17,i)=(f5(2,i)*yiq4 +f4(2,i+2)*yiq2*six +f3(2,i+2)*three)
f5w(18,i)=(f5(3,i)*yiq2 +f4(1,i+2)*yiq2+f4(3,i+2)*three +f3(1,i+2)*three)*yiq
f5w(19,i)=(f5(4,i)*yiq2 +f4(2,i+2)*yiq2*three+f4(4,i+2) +f3(2,i+2)*three)
f5w(20,i)=(f5(5,i) +f4(3,i+2)*six +f3(1,i+2)*three)*yiq
f5w(21,i)=(f5(6,i) +f4(4,i+2)*ten +f3(2,i+2)*p15 )
enddo
do j= 1,21
r5(j,1)= r5(j,1)+f5w(j,1)*qmd4
r5(j,2)= r5(j,2)+f5w(j,2)*qmd4
r5(j,3)= r5(j,3)+f5w(j,3)*work(14)
r5(j,4)= r5(j,4)+f5w(j,3)*work(15)
enddo
!
r6( 1)= r6( 1)+(f6(1)*xiq6+f5(1,3)*xiq4*p15+f4(1,5)*xiq2*p45+f3(1,5)*p15)*qmd4
r6( 2)= r6( 2)+(f6(1)*xiq4+f5(1,3)*xiq2*ten+f4(1,5)*p15)*qmd4xy
r6( 3)= r6( 3)+(f6(2)*xiq4+f5(2,3)*xiq2*ten+f4(2,5)*p15)*qmd4x
r6( 4)= r6( 4)+(f6(1)*x4y2+f5(1,3)*xiq4+f5(1,3)*xyiq2*six+f4(1,5)*xiq2*six &
& +f4(1,5)*yiq2*three+f3(1,5)*three)*qmd4
r6( 5)= r6( 5)+(f6(2)*xiq4+f5(2,3)*xiq2*six+f4(2,5)*three)*qmd4y
r6( 6)= r6( 6)+(f6(3)*xiq4+f5(1,3)*xiq4+f5(3,3)*xiq2*six+f4(1,5)*xiq2*six &
& +f4(3,5)*three+f3(1,5)*three)*qmd4
r6( 7)= r6( 7)+(f6(1)*xyiq2+f5(1,3)*xiq2*three+f5(1,3)*yiq2*three+f4(1,5)*nine)*qmd4xy
r6( 8)= r6( 8)+(f6(2)*xyiq2+f5(2,3)*xiq2+f5(2,3)*yiq2*three+f4(2,5)*three)*qmd4x
r6( 9)= r6( 9)+(f6(3)*xiq2+f5(1,3)*xiq2+f5(3,3)*three+f4(1,5)*three)*qmd4xy
r6(10)= r6(10)+(f6(4)*xiq2+f5(2,3)*xiq2*three+f5(4,3)*three+f4(2,5)*nine)*qmd4x
r6(11)= r6(11)+(f6(1)*x2y4+f5(1,3)*xyiq2*six+f5(1,3)*yiq4+f4(1,5)*xiq2*three &
& +f4(1,5)*yiq2*six+f3(1,5)*three)*qmd4
r6(12)= r6(12)+(f6(2)*xyiq2+f5(2,3)*xiq2*three+f5(2,3)*yiq2+f4(2,5)*three)*qmd4y
r6(13)= r6(13)+(f6(3)*xyiq2+f5(1,3)*xyiq2+f5(3,3)*xiq2+f5(3,3)*yiq2+f4(1,5)*xiq2 &
& +f4(1,5)*yiq2+f4(3,5)+f3(1,5))*qmd4
r6(14)= r6(14)+(f6(4)*xiq2+f5(2,3)*xiq2*three+f5(4,3)+f4(2,5)*three)*qmd4y
r6(15)= r6(15)+(f6(5)*xiq2+f5(3,3)*xiq2*six+f5(5,3)+f4(1,5)*xiq2*three+f4(3,5)*six &
& +f3(1,5)*three)*qmd4
r6(16)= r6(16)+(f6(1)*yiq4+f5(1,3)*yiq2*ten+f4(1,5)*p15)*qmd4xy
r6(17)= r6(17)+(f6(2)*yiq4+f5(2,3)*yiq2*six+f4(2,5)*three)*qmd4x
r6(18)= r6(18)+(f6(3)*yiq2+f5(1,3)*yiq2+f5(3,3)*three+f4(1,5)*three)*qmd4xy
r6(19)= r6(19)+(f6(4)*yiq2+f5(2,3)*yiq2*three+f5(4,3)+f4(2,5)*three)*qmd4x
r6(20)= r6(20)+(f6(5)+f5(3,3)*six+f4(1,5)*three)*qmd4xy
r6(21)= r6(21)+(f6(6)+f5(4,3)*ten+f4(2,5)*p15)*qmd4x
r6(22)= r6(22)+(f6(1)*yiq6+f5(1,3)*yiq4*p15+f4(1,5)*yiq2*p45+f3(1,5)*p15)*qmd4
r6(23)= r6(23)+(f6(2)*yiq4+f5(2,3)*yiq2*ten+f4(2,5)*p15)*qmd4y
r6(24)= r6(24)+(f6(3)*yiq4+f5(1,3)*yiq4+f5(3,3)*yiq2*six+f4(1,5)*yiq2*six &
& +f4(3,5)*three+f3(1,5)*three)*qmd4
r6(25)= r6(25)+(f6(4)*yiq2+f5(2,3)*yiq2*three+f5(4,3)*three+f4(2,5)*nine)*qmd4y
r6(26)= r6(26)+(f6(5)*yiq2+f5(3,3)*yiq2*six+f5(5,3)+f4(1,5)*yiq2*three+f4(3,5)*six &
& +f3(1,5)*three)*qmd4
r6(27)= r6(27)+(f6(6)+f5(4,3)*ten+f4(2,5)*p15)*qmd4y
r6(28)= r6(28)+(f6(7)+f5(5,3)*p15+f4(3,5)*p45+f3(1,5)*p15)*qmd4
enddo
!
qx= xzkl(1)
qz= xzkl(2)
xx= qx*qx
xz= qx*qz
zz= qz*qz
xxx= qx*qx*qx
xxz= qx*qx*qz
xzz= qx*qz*qz
zzz= qz*qz*qz
xxxx= xx*xx
xxxz= xx*xz
xxzz= xx*zz
xzzz= xz*zz
zzzz= zz*zz
ijcycle= 0
do i= 1,3
do j= 1,3
ijcycle= ijcycle+1
select case(ijcycle)
case(1)
rrr( 1)=r6(1)+r4(1,2)+r4(1,7)*six+r2(1,5)*six+r2(1,17)*three+r0(6)*three
rrr( 2)=r6(2)+r4(2,2)+r4(2,7)*three+r2(4,5)*three
rrr( 3)=r6(3)+r4(3,2)+r4(3,7)*three+r2(5,5)*three
rrr( 4)=r6(4)+r4(4,2)+r4(1,7)+r4(4,7)+r2(1,5)+r2(2,5)+r2(1,17)+r0(6)
rrr( 5)=r6(5)+r4(5,2)+r4(5,7)+r2(6,5)
rrr( 6)=r6(6)+r4(6,2)+r4(1,7)+r4(6,7)+r2(1,5)+r2(3,5)+r2(1,17)+r0(6)
rrr( 7)=r6(7)+r4(7,2)+r4(2,7)*three+r2(4,5)*three
rrr( 8)=r6(8)+r4(8,2)+r4(3,7)+r2(5,5)
rrr( 9)=r6(9)+r4(9,2)+r4(2,7)+r2(4,5)
rrr(10)=r6(10)+r4(10,2)+r4(3,7)*three+r2(5,5)*three
rrr(11)=r6(11)+r4(11,2)+r4(4,7)*six+r2(2,5)*six+r2(1,17)*three+r0(6)*three
rrr(12)=r6(12)+r4(12,2)+r4(5,7)*three+r2(6,5)*three
rrr(13)=r6(13)+r4(13,2)+r4(4,7)+r4(6,7)+r2(2,5)+r2(3,5)+r2(1,17)+r0(6)
rrr(14)=r6(14)+r4(14,2)+r4(5,7)*three+r2(6,5)*three
rrr(15)=r6(15)+r4(15,2)+r4(6,7)*six+r2(3,5)*six+r2(1,17)*three+r0(6)*three
rxyz( 1)=+r5(1,3)+r3(1,3)+r3(1,13)*three+r1(1,5)*three
rxyz( 2)=+r5(1,4)+r3(1,4)+r3(1,14)*three+r1(1,6)*three
rxyz( 3)=+r4(1,8)+r2(1,6)+r2(1,18)+r0(7)
rxyz( 4)=+r4(1,9)+r2(1,7)+r2(1,19)+r0(8)
rxyz( 5)=+r4(1,10)+r2(1,8)+r2(1,20)+r0(9)
rxyz( 6)=+r3(1,15)+r1(1,7)
rxyz( 7)=+r3(1,16)+r1(1,8)
rxyz( 8)=+r2(1,21)+r0(10)
rxyz( 9)=+r5(4,3)+r3(4,3)+r3(1,13)+r1(1,5)
rxyz(10)=+r5(4,4)+r3(4,4)+r3(1,14)+r1(1,6)
rxyz(11)=+r4(4,10)+r2(2,8)+r2(1,20)+r0(9)
rxyz(12)=+r5(6,3)+r3(6,3)+r3(1,13)+r1(1,5)
rxyz(13)=+r5(6,4)+r3(6,4)+r3(1,14)+r1(1,6)
rxyz(14)=+r5(3,3)+r3(3,3)+r3(3,13)+r1(3,5)
rxyz(15)=+r5(3,4)+r3(3,4)+r3(3,14)+r1(3,6)
rxyz(16)=+r4(6,8)+r2(3,6)+r2(1,18)+r0(7)
rxyz(17)=+r4(6,9)+r2(3,7)+r2(1,19)+r0(8)
rxyz(18)=+r4(6,10)+r2(3,8)+r2(1,20)+r0(9)
rxyz(19)=+r4(3,8)+r2(5,6)
rxyz(20)=+r4(3,9)*two+r2(5,7)*two
rxyz(21)=+r4(3,10)+r2(5,8)
rxyz(22)=+r3(3,15)+r1(3,7)
rxyz(23)=+r3(3,16)+r1(3,8)
rxyz(24)=+r5(2,3)+r3(2,3)+r3(2,13)+r1(2,5)
rxyz(25)=+r5(2,4)+r3(2,4)+r3(2,14)+r1(2,6)
rxyz(26)=+r4(2,8)+r2(4,6)
rxyz(27)=+r4(2,9)+r2(4,7)
rxyz(28)=+r4(2,10)+r2(4,8)
rxyz(29)=+r3(2,16)+r1(2,8)
rxyz(30)=+r5(5,3)+r3(5,3)
rxyz(31)=+r5(5,4)+r3(5,4)
rxyz(32)=+r4(5,8)+r2(6,6)
rxyz(33)=+r4(5,9)+r2(6,7)
rxyz(34)=+r4(5,10)+r2(6,8)
rxyz(35)=+r4(4,8)+r2(2,6)+r2(1,18)+r0(7)
rxyz(36)=+r5(8,3)+r3(8,3)+r3(3,13)+r1(3,5)
rxyz(37)=+r5(8,4)+r3(8,4)+r3(3,14)+r1(3,6)
rxyz(38)=+r5(7,3)+r3(7,3)+r3(2,13)*three+r1(2,5)*three
rxyz(39)=+r5(7,4)+r3(7,4)+r3(2,14)*three+r1(2,6)*three
rxyz(40)=+r5(10,3)+r3(10,3)+r3(3,13)*three+r1(3,5)*three
rxyz(41)=+r5(10,4)+r3(10,4)+r3(3,14)*three+r1(3,6)*three
rxyz(42)=+r5(9,3)+r3(9,3)+r3(2,13)+r1(2,5)
rxyz(43)=+r5(9,4)+r3(9,4)+r3(2,14)+r1(2,6)
rxyz(44)=+r4(4,9)+r2(2,7)+r2(1,19)+r0(8)
rxyz(45)=+r3(2,15)+r1(2,7)
case(2)
rrr( 1)= r6(2)+r4(2,7)*six+r2(4,17)*three
rrr( 2)= r6(4)+r4(4,7)*three
rrr( 3)= r6(5)+r4(5,7)*three
rrr( 4)= r6(7)+r4(2,7)+r4(7,7)+r2(4,17)
rrr( 5)= r6(8)+r4(8,7)
rrr( 6)= r6(9)+r4(2,7)+r4(9,7)+r2(4,17)
rrr( 7)= r6(11)+r4(4,7)*three
rrr( 8)= r6(12)+r4(5,7)
rrr( 9)= r6(13)+r4(4,7)
rrr(10)= r6(14)+r4(5,7)*three
rrr(11)= r6(16)+r4(7,7)*six+r2(4,17)*three
rrr(12)= r6(17)+r4(8,7)*three
rrr(13)= r6(18)+r4(7,7)+r4(9,7)+r2(4,17)
rrr(14)= r6(19)+r4(8,7)*three
rrr(15)= r6(20)+r4(9,7)*six+r2(4,17)*three
rxyz( 1)=+r5(2,3)+r3(2,13)*three
rxyz( 2)=+r5(2,4)+r3(2,14)*three
rxyz( 3)=+r4(2,8)+r2(4,18)
rxyz( 4)=+r4(2,9)+r2(4,19)
rxyz( 5)=+r4(2,10)+r2(4,20)
rxyz( 6)=+r3(2,15)
rxyz( 7)=+r3(2,16)
rxyz( 8)=+r2(4,21)
rxyz( 9)=+r5(7,3)+r3(2,13)
rxyz(10)=+r5(7,4)+r3(2,14)
rxyz(11)=+r4(7,10)+r2(4,20)
rxyz(12)=+r5(9,3)+r3(2,13)
rxyz(13)=+r5(9,4)+r3(2,14)
rxyz(14)=+r5(5,3)+r3(5,13)
rxyz(15)=+r5(5,4)+r3(5,14)
rxyz(16)=+r4(9,8)+r2(4,18)
rxyz(17)=+r4(9,9)+r2(4,19)
rxyz(18)=+r4(9,10)+r2(4,20)
rxyz(19)=+r4(5,8)
rxyz(20)=+r4(5,9)*two
rxyz(21)=+r4(5,10)
rxyz(22)=+r3(5,15)
rxyz(23)=+r3(5,16)
rxyz(24)=+r5(4,3)+r3(4,13)
rxyz(25)=+r5(4,4)+r3(4,14)
rxyz(26)=+r4(4,8)
rxyz(27)=+r4(4,9)
rxyz(28)=+r4(4,10)
rxyz(29)=+r3(4,16)
rxyz(30)=+r5(8,3)
rxyz(31)=+r5(8,4)
rxyz(32)=+r4(8,8)
rxyz(33)=+r4(8,9)
rxyz(34)=+r4(8,10)
rxyz(35)=+r4(7,8)+r2(4,18)
rxyz(36)=+r5(12,3)+r3(5,13)
rxyz(37)=+r5(12,4)+r3(5,14)
rxyz(38)=+r5(11,3)+r3(4,13)*three
rxyz(39)=+r5(11,4)+r3(4,14)*three
rxyz(40)=+r5(14,3)+r3(5,13)*three
rxyz(41)=+r5(14,4)+r3(5,14)*three
rxyz(42)=+r5(13,3)+r3(4,13)
rxyz(43)=+r5(13,4)+r3(4,14)
rxyz(44)=+r4(7,9)+r2(4,19)
rxyz(45)=+r3(4,15)
case(3)
rrr( 1)= r6(3)-r5(1,1)+r4(3,7)*six-r3(1,5)*six+r2(5,17)*three-r1(1,9)*three
rrr( 2)= r6(5)-r5(2,1)+r4(5,7)*three-r3(2,5)*three
rrr( 3)= r6(6)-r5(3,1)+r4(6,7)*three-r3(3,5)*three
rrr( 4)= r6(8)-r5(4,1)+r4(3,7)+r4(8,7)-r3(1,5)-r3(4,5)+r2(5,17)-r1(1,9)
rrr( 5)= r6(9)-r5(5,1)+r4(9,7)-r3(5,5)
rrr( 6)= r6(10)-r5(6,1)+r4(3,7)+r4(10,7)-r3(1,5)-r3(6,5)+r2(5,17)-r1(1,9)
rrr( 7)= r6(12)-r5(7,1)+r4(5,7)*three-r3(2,5)*three
rrr( 8)= r6(13)-r5(8,1)+r4(6,7)-r3(3,5)
rrr( 9)= r6(14)-r5(9,1)+r4(5,7)-r3(2,5)
rrr(10)= r6(15)-r5(10,1)+r4(6,7)*three-r3(3,5)*three
rrr(11)= r6(17)-r5(11,1)+r4(8,7)*six-r3(4,5)*six+r2(5,17)*three-r1(1,9)*three
rrr(12)= r6(18)-r5(12,1)+r4(9,7)*three-r3(5,5)*three
rrr(13)= r6(19)-r5(13,1)+r4(8,7)+r4(10,7)-r3(4,5)-r3(6,5)+r2(5,17)-r1(1,9)
rrr(14)= r6(20)-r5(14,1)+r4(9,7)*three-r3(5,5)*three
rrr(15)= r6(21)-r5(15,1)+r4(10,7)*six-r3(6,5)*six+r2(5,17)*three-r1(1,9)*three
rxyz( 1)=+r5(3,3)-r4(1,3)+r3(3,13)*three-r2(1,9)*three
rxyz( 2)=+r5(3,4)-r4(1,4)+r3(3,14)*three-r2(1,10)*three
rxyz( 3)=+r4(3,8)-r3(1,6)+r2(5,18)-r1(1,10)
rxyz( 4)=+r4(3,9)-r3(1,7)+r2(5,19)-r1(1,11)
rxyz( 5)=+r4(3,10)-r3(1,8)+r2(5,20)-r1(1,12)
rxyz( 6)=+r3(3,15)-r2(1,11)
rxyz( 7)=+r3(3,16)-r2(1,12)
rxyz( 8)=+r2(5,21)-r1(1,13)
rxyz( 9)=+r5(8,3)-r4(4,3)+r3(3,13)-r2(1,9)
rxyz(10)=+r5(8,4)-r4(4,4)+r3(3,14)-r2(1,10)
rxyz(11)=+r4(8,10)-r3(4,8)+r2(5,20)-r1(1,12)
rxyz(12)=+r5(10,3)-r4(6,3)+r3(3,13)-r2(1,9)
rxyz(13)=+r5(10,4)-r4(6,4)+r3(3,14)-r2(1,10)
rxyz(14)=+r5(6,3)-r4(3,3)+r3(6,13)-r2(5,9)
rxyz(15)=+r5(6,4)-r4(3,4)+r3(6,14)-r2(5,10)
rxyz(16)=+r4(10,8)-r3(6,6)+r2(5,18)-r1(1,10)
rxyz(17)=+r4(10,9)-r3(6,7)+r2(5,19)-r1(1,11)
rxyz(18)=+r4(10,10)-r3(6,8)+r2(5,20)-r1(1,12)
rxyz(19)=+r4(6,8)-r3(3,6)
rxyz(20)=+r4(6,9)*two-r3(3,7)*two
rxyz(21)=+r4(6,10)-r3(3,8)
rxyz(22)=+r3(6,15)-r2(5,11)
rxyz(23)=+r3(6,16)-r2(5,12)
rxyz(24)=+r5(5,3)-r4(2,3)+r3(5,13)-r2(4,9)
rxyz(25)=+r5(5,4)-r4(2,4)+r3(5,14)-r2(4,10)
rxyz(26)=+r4(5,8)-r3(2,6)
rxyz(27)=+r4(5,9)-r3(2,7)
rxyz(28)=+r4(5,10)-r3(2,8)
rxyz(29)=+r3(5,16)-r2(4,12)
rxyz(30)=+r5(9,3)-r4(5,3)
rxyz(31)=+r5(9,4)-r4(5,4)
rxyz(32)=+r4(9,8)-r3(5,6)
rxyz(33)=+r4(9,9)-r3(5,7)
rxyz(34)=+r4(9,10)-r3(5,8)
rxyz(35)=+r4(8,8)-r3(4,6)+r2(5,18)-r1(1,10)
rxyz(36)=+r5(13,3)-r4(8,3)+r3(6,13)-r2(5,9)
rxyz(37)=+r5(13,4)-r4(8,4)+r3(6,14)-r2(5,10)
rxyz(38)=+r5(12,3)-r4(7,3)+r3(5,13)*three-r2(4,9)*three
rxyz(39)=+r5(12,4)-r4(7,4)+r3(5,14)*three-r2(4,10)*three
rxyz(40)=+r5(15,3)-r4(10,3)+r3(6,13)*three-r2(5,9)*three
rxyz(41)=+r5(15,4)-r4(10,4)+r3(6,14)*three-r2(5,10)*three
rxyz(42)=+r5(14,3)-r4(9,3)+r3(5,13)-r2(4,9)
rxyz(43)=+r5(14,4)-r4(9,4)+r3(5,14)-r2(4,10)
rxyz(44)=+r4(8,9)-r3(4,7)+r2(5,19)-r1(1,11)
rxyz(45)=+r3(5,15)-r2(4,11)
case(4)
do k= 1,6
do l= 1,6
eri(l,k,1,2)= eri(l,k,2,1)
enddo
enddo
cycle
case(5)
rrr( 1)= r6(4)+r4(1,2)+r4(4,7)*six+r2(1,5)*six+r2(2,17)*three+r0(6)*three
rrr( 2)= r6(7)+r4(2,2)+r4(7,7)*three+r2(4,5)*three
rrr( 3)= r6(8)+r4(3,2)+r4(8,7)*three+r2(5,5)*three
rrr( 4)= r6(11)+r4(4,2)+r4(4,7)+r4(11,7)+r2(1,5)+r2(2,5)+r2(2,17)+r0(6)
rrr( 5)= r6(12)+r4(5,2)+r4(12,7)+r2(6,5)
rrr( 6)= r6(13)+r4(6,2)+r4(4,7)+r4(13,7)+r2(1,5)+r2(3,5)+r2(2,17)+r0(6)
rrr( 7)= r6(16)+r4(7,2)+r4(7,7)*three+r2(4,5)*three
rrr( 8)= r6(17)+r4(8,2)+r4(8,7)+r2(5,5)
rrr( 9)= r6(18)+r4(9,2)+r4(7,7)+r2(4,5)
rrr(10)= r6(19)+r4(10,2)+r4(8,7)*three+r2(5,5)*three
rrr(11)= r6(22)+r4(11,2)+r4(11,7)*six+r2(2,5)*six+r2(2,17)*three+r0(6)*three
rrr(12)= r6(23)+r4(12,2)+r4(12,7)*three+r2(6,5)*three
rrr(13)= r6(24)+r4(13,2)+r4(11,7)+r4(13,7)+r2(2,5)+r2(3,5)+r2(2,17)+r0(6)
rrr(14)= r6(25)+r4(14,2)+r4(12,7)*three+r2(6,5)*three
rrr(15)= r6(26)+r4(15,2)+r4(13,7)*six+r2(3,5)*six+r2(2,17)*three+r0(6)*three
rxyz( 1)=+r5(4,3)+r3(1,3)+r3(4,13)*three+r1(1,5)*three
rxyz( 2)=+r5(4,4)+r3(1,4)+r3(4,14)*three+r1(1,6)*three
rxyz( 3)=+r4(4,8)+r2(1,6)+r2(2,18)+r0(7)
rxyz( 4)=+r4(4,9)+r2(1,7)+r2(2,19)+r0(8)
rxyz( 5)=+r4(4,10)+r2(1,8)+r2(2,20)+r0(9)
rxyz( 6)=+r3(4,15)+r1(1,7)
rxyz( 7)=+r3(4,16)+r1(1,8)
rxyz( 8)=+r2(2,21)+r0(10)
rxyz( 9)=+r5(11,3)+r3(4,3)+r3(4,13)+r1(1,5)
rxyz(10)=+r5(11,4)+r3(4,4)+r3(4,14)+r1(1,6)
rxyz(11)=+r4(11,10)+r2(2,8)+r2(2,20)+r0(9)
rxyz(12)=+r5(13,3)+r3(6,3)+r3(4,13)+r1(1,5)
rxyz(13)=+r5(13,4)+r3(6,4)+r3(4,14)+r1(1,6)
rxyz(14)=+r5(8,3)+r3(3,3)+r3(8,13)+r1(3,5)
rxyz(15)=+r5(8,4)+r3(3,4)+r3(8,14)+r1(3,6)
rxyz(16)=+r4(13,8)+r2(3,6)+r2(2,18)+r0(7)
rxyz(17)=+r4(13,9)+r2(3,7)+r2(2,19)+r0(8)
rxyz(18)=+r4(13,10)+r2(3,8)+r2(2,20)+r0(9)
rxyz(19)=+r4(8,8)+r2(5,6)
rxyz(20)=+r4(8,9)*two+r2(5,7)*two
rxyz(21)=+r4(8,10)+r2(5,8)
rxyz(22)=+r3(8,15)+r1(3,7)
rxyz(23)=+r3(8,16)+r1(3,8)
rxyz(24)=+r5(7,3)+r3(2,3)+r3(7,13)+r1(2,5)
rxyz(25)=+r5(7,4)+r3(2,4)+r3(7,14)+r1(2,6)
rxyz(26)=+r4(7,8)+r2(4,6)
rxyz(27)=+r4(7,9)+r2(4,7)
rxyz(28)=+r4(7,10)+r2(4,8)
rxyz(29)=+r3(7,16)+r1(2,8)
rxyz(30)=+r5(12,3)+r3(5,3)
rxyz(31)=+r5(12,4)+r3(5,4)
rxyz(32)=+r4(12,8)+r2(6,6)
rxyz(33)=+r4(12,9)+r2(6,7)
rxyz(34)=+r4(12,10)+r2(6,8)
rxyz(35)=+r4(11,8)+r2(2,6)+r2(2,18)+r0(7)
rxyz(36)=+r5(17,3)+r3(8,3)+r3(8,13)+r1(3,5)
rxyz(37)=+r5(17,4)+r3(8,4)+r3(8,14)+r1(3,6)
rxyz(38)=+r5(16,3)+r3(7,3)+r3(7,13)*three+r1(2,5)*three
rxyz(39)=+r5(16,4)+r3(7,4)+r3(7,14)*three+r1(2,6)*three
rxyz(40)=+r5(19,3)+r3(10,3)+r3(8,13)*three+r1(3,5)*three
rxyz(41)=+r5(19,4)+r3(10,4)+r3(8,14)*three+r1(3,6)*three
rxyz(42)=+r5(18,3)+r3(9,3)+r3(7,13)+r1(2,5)
rxyz(43)=+r5(18,4)+r3(9,4)+r3(7,14)+r1(2,6)
rxyz(44)=+r4(11,9)+r2(2,7)+r2(2,19)+r0(8)
rxyz(45)=+r3(7,15)+r1(2,7)
case(6)
rrr( 1)= r6(5)-r5(2,1)+r4(5,7)*six-r3(2,5)*six+r2(6,17)*three-r1(2,9)*three
rrr( 2)= r6(8)-r5(4,1)+r4(8,7)*three-r3(4,5)*three
rrr( 3)= r6(9)-r5(5,1)+r4(9,7)*three-r3(5,5)*three
rrr( 4)= r6(12)-r5(7,1)+r4(5,7)+r4(12,7)-r3(2,5)-r3(7,5)+r2(6,17)-r1(2,9)
rrr( 5)= r6(13)-r5(8,1)+r4(13,7)-r3(8,5)
rrr( 6)= r6(14)-r5(9,1)+r4(5,7)+r4(14,7)-r3(2,5)-r3(9,5)+r2(6,17)-r1(2,9)
rrr( 7)= r6(17)-r5(11,1)+r4(8,7)*three-r3(4,5)*three
rrr( 8)= r6(18)-r5(12,1)+r4(9,7)-r3(5,5)
rrr( 9)= r6(19)-r5(13,1)+r4(8,7)-r3(4,5)
rrr(10)= r6(20)-r5(14,1)+r4(9,7)*three-r3(5,5)*three
rrr(11)= r6(23)-r5(16,1)+r4(12,7)*six-r3(7,5)*six+r2(6,17)*three-r1(2,9)*three
rrr(12)= r6(24)-r5(17,1)+r4(13,7)*three-r3(8,5)*three
rrr(13)= r6(25)-r5(18,1)+r4(12,7)+r4(14,7)-r3(7,5)-r3(9,5)+r2(6,17)-r1(2,9)
rrr(14)= r6(26)-r5(19,1)+r4(13,7)*three-r3(8,5)*three
rrr(15)= r6(27)-r5(20,1)+r4(14,7)*six-r3(9,5)*six+r2(6,17)*three-r1(2,9)*three
rxyz( 1)=+r5(5,3)-r4(2,3)+r3(5,13)*three-r2(4,9)*three
rxyz( 2)=+r5(5,4)-r4(2,4)+r3(5,14)*three-r2(4,10)*three
rxyz( 3)=+r4(5,8)-r3(2,6)+r2(6,18)-r1(2,10)
rxyz( 4)=+r4(5,9)-r3(2,7)+r2(6,19)-r1(2,11)
rxyz( 5)=+r4(5,10)-r3(2,8)+r2(6,20)-r1(2,12)
rxyz( 6)=+r3(5,15)-r2(4,11)
rxyz( 7)=+r3(5,16)-r2(4,12)
rxyz( 8)=+r2(6,21)-r1(2,13)
rxyz( 9)=+r5(12,3)-r4(7,3)+r3(5,13)-r2(4,9)
rxyz(10)=+r5(12,4)-r4(7,4)+r3(5,14)-r2(4,10)
rxyz(11)=+r4(12,10)-r3(7,8)+r2(6,20)-r1(2,12)
rxyz(12)=+r5(14,3)-r4(9,3)+r3(5,13)-r2(4,9)
rxyz(13)=+r5(14,4)-r4(9,4)+r3(5,14)-r2(4,10)
rxyz(14)=+r5(9,3)-r4(5,3)+r3(9,13)-r2(6,9)
rxyz(15)=+r5(9,4)-r4(5,4)+r3(9,14)-r2(6,10)
rxyz(16)=+r4(14,8)-r3(9,6)+r2(6,18)-r1(2,10)
rxyz(17)=+r4(14,9)-r3(9,7)+r2(6,19)-r1(2,11)
rxyz(18)=+r4(14,10)-r3(9,8)+r2(6,20)-r1(2,12)
rxyz(19)=+r4(9,8)-r3(5,6)
rxyz(20)=+r4(9,9)*two-r3(5,7)*two
rxyz(21)=+r4(9,10)-r3(5,8)
rxyz(22)=+r3(9,15)-r2(6,11)
rxyz(23)=+r3(9,16)-r2(6,12)
rxyz(24)=+r5(8,3)-r4(4,3)+r3(8,13)-r2(2,9)
rxyz(25)=+r5(8,4)-r4(4,4)+r3(8,14)-r2(2,10)
rxyz(26)=+r4(8,8)-r3(4,6)
rxyz(27)=+r4(8,9)-r3(4,7)
rxyz(28)=+r4(8,10)-r3(4,8)
rxyz(29)=+r3(8,16)-r2(2,12)
rxyz(30)=+r5(13,3)-r4(8,3)
rxyz(31)=+r5(13,4)-r4(8,4)
rxyz(32)=+r4(13,8)-r3(8,6)
rxyz(33)=+r4(13,9)-r3(8,7)
rxyz(34)=+r4(13,10)-r3(8,8)
rxyz(35)=+r4(12,8)-r3(7,6)+r2(6,18)-r1(2,10)
rxyz(36)=+r5(18,3)-r4(12,3)+r3(9,13)-r2(6,9)
rxyz(37)=+r5(18,4)-r4(12,4)+r3(9,14)-r2(6,10)
rxyz(38)=+r5(17,3)-r4(11,3)+r3(8,13)*three-r2(2,9)*three
rxyz(39)=+r5(17,4)-r4(11,4)+r3(8,14)*three-r2(2,10)*three
rxyz(40)=+r5(20,3)-r4(14,3)+r3(9,13)*three-r2(6,9)*three
rxyz(41)=+r5(20,4)-r4(14,4)+r3(9,14)*three-r2(6,10)*three
rxyz(42)=+r5(19,3)-r4(13,3)+r3(8,13)-r2(2,9)
rxyz(43)=+r5(19,4)-r4(13,4)+r3(8,14)-r2(2,10)
rxyz(44)=+r4(12,9)-r3(7,7)+r2(6,19)-r1(2,11)
rxyz(45)=+r3(8,15)-r2(2,11)
case(7)
rrr( 1)= r6(3)-r5(1,2)+r4(3,7)*six-r3(1,9)*six+r2(5,17)*three-r1(1,14)*three
rrr( 2)= r6(5)-r5(2,2)+r4(5,7)*three-r3(2,9)*three
rrr( 3)= r6(6)-r5(3,2)+r4(6,7)*three-r3(3,9)*three
rrr( 4)= r6(8)-r5(4,2)+r4(3,7)+r4(8,7)-r3(1,9)-r3(4,9)+r2(5,17)-r1(1,14)
rrr( 5)= r6(9)-r5(5,2)+r4(9,7)-r3(5,9)
rrr( 6)= r6(10)-r5(6,2)+r4(3,7)+r4(10,7)-r3(1,9)-r3(6,9)+r2(5,17)-r1(1,14)
rrr( 7)= r6(12)-r5(7,2)+r4(5,7)*three-r3(2,9)*three
rrr( 8)= r6(13)-r5(8,2)+r4(6,7)-r3(3,9)
rrr( 9)= r6(14)-r5(9,2)+r4(5,7)-r3(2,9)
rrr(10)= r6(15)-r5(10,2)+r4(6,7)*three-r3(3,9)*three
rrr(11)= r6(17)-r5(11,2)+r4(8,7)*six-r3(4,9)*six+r2(5,17)*three-r1(1,14)*three
rrr(12)= r6(18)-r5(12,2)+r4(9,7)*three-r3(5,9)*three
rrr(13)= r6(19)-r5(13,2)+r4(8,7)+r4(10,7)-r3(4,9)-r3(6,9)+r2(5,17)-r1(1,14)
rrr(14)= r6(20)-r5(14,2)+r4(9,7)*three-r3(5,9)*three
rrr(15)= r6(21)-r5(15,2)+r4(10,7)*six-r3(6,9)*six+r2(5,17)*three-r1(1,14)*three
rxyz( 1)=+r5(3,3)-r4(1,5)+r3(3,13)*three-r2(1,13)*three
rxyz( 2)=+r5(3,4)-r4(1,6)+r3(3,14)*three-r2(1,14)*three
rxyz( 3)=+r4(3,8)-r3(1,10)+r2(5,18)-r1(1,15)
rxyz( 4)=+r4(3,9)-r3(1,11)+r2(5,19)-r1(1,16)
rxyz( 5)=+r4(3,10)-r3(1,12)+r2(5,20)-r1(1,17)
rxyz( 6)=+r3(3,15)-r2(1,15)
rxyz( 7)=+r3(3,16)-r2(1,16)
rxyz( 8)=+r2(5,21)-r1(1,18)
rxyz( 9)=+r5(8,3)-r4(4,5)+r3(3,13)-r2(1,13)
rxyz(10)=+r5(8,4)-r4(4,6)+r3(3,14)-r2(1,14)
rxyz(11)=+r4(8,10)-r3(4,12)+r2(5,20)-r1(1,17)
rxyz(12)=+r5(10,3)-r4(6,5)+r3(3,13)-r2(1,13)
rxyz(13)=+r5(10,4)-r4(6,6)+r3(3,14)-r2(1,14)
rxyz(14)=+r5(6,3)-r4(3,5)+r3(6,13)-r2(5,13)
rxyz(15)=+r5(6,4)-r4(3,6)+r3(6,14)-r2(5,14)
rxyz(16)=+r4(10,8)-r3(6,10)+r2(5,18)-r1(1,15)
rxyz(17)=+r4(10,9)-r3(6,11)+r2(5,19)-r1(1,16)
rxyz(18)=+r4(10,10)-r3(6,12)+r2(5,20)-r1(1,17)
rxyz(19)=+r4(6,8)-r3(3,10)
rxyz(20)=+r4(6,9)*two-r3(3,11)*two
rxyz(21)=+r4(6,10)-r3(3,12)
rxyz(22)=+r3(6,15)-r2(5,15)
rxyz(23)=+r3(6,16)-r2(5,16)
rxyz(24)=+r5(5,3)-r4(2,5)+r3(5,13)-r2(4,13)
rxyz(25)=+r5(5,4)-r4(2,6)+r3(5,14)-r2(4,14)
rxyz(26)=+r4(5,8)-r3(2,10)
rxyz(27)=+r4(5,9)-r3(2,11)
rxyz(28)=+r4(5,10)-r3(2,12)
rxyz(29)=+r3(5,16)-r2(4,16)
rxyz(30)=+r5(9,3)-r4(5,5)
rxyz(31)=+r5(9,4)-r4(5,6)
rxyz(32)=+r4(9,8)-r3(5,10)
rxyz(33)=+r4(9,9)-r3(5,11)
rxyz(34)=+r4(9,10)-r3(5,12)
rxyz(35)=+r4(8,8)-r3(4,10)+r2(5,18)-r1(1,15)
rxyz(36)=+r5(13,3)-r4(8,5)+r3(6,13)-r2(5,13)
rxyz(37)=+r5(13,4)-r4(8,6)+r3(6,14)-r2(5,14)
rxyz(38)=+r5(12,3)-r4(7,5)+r3(5,13)*three-r2(4,13)*three
rxyz(39)=+r5(12,4)-r4(7,6)+r3(5,14)*three-r2(4,14)*three
rxyz(40)=+r5(15,3)-r4(10,5)+r3(6,13)*three-r2(5,13)*three
rxyz(41)=+r5(15,4)-r4(10,6)+r3(6,14)*three-r2(5,14)*three
rxyz(42)=+r5(14,3)-r4(9,5)+r3(5,13)-r2(4,13)
rxyz(43)=+r5(14,4)-r4(9,6)+r3(5,14)-r2(4,14)
rxyz(44)=+r4(8,9)-r3(4,11)+r2(5,19)-r1(1,16)
rxyz(45)=+r3(5,15)-r2(4,15)
case(8)
rrr( 1)= r6(5)-r5(2,2)+r4(5,7)*six-r3(2,9)*six+r2(6,17)*three-r1(2,14)*three
rrr( 2)= r6(8)-r5(4,2)+r4(8,7)*three-r3(4,9)*three
rrr( 3)= r6(9)-r5(5,2)+r4(9,7)*three-r3(5,9)*three
rrr( 4)= r6(12)-r5(7,2)+r4(5,7)+r4(12,7)-r3(2,9)-r3(7,9)+r2(6,17)-r1(2,14)
rrr( 5)= r6(13)-r5(8,2)+r4(13,7)-r3(8,9)
rrr( 6)= r6(14)-r5(9,2)+r4(5,7)+r4(14,7)-r3(2,9)-r3(9,9)+r2(6,17)-r1(2,14)
rrr( 7)= r6(17)-r5(11,2)+r4(8,7)*three-r3(4,9)*three
rrr( 8)= r6(18)-r5(12,2)+r4(9,7)-r3(5,9)
rrr( 9)= r6(19)-r5(13,2)+r4(8,7)-r3(4,9)
rrr(10)= r6(20)-r5(14,2)+r4(9,7)*three-r3(5,9)*three
rrr(11)= r6(23)-r5(16,2)+r4(12,7)*six-r3(7,9)*six+r2(6,17)*three-r1(2,14)*three
rrr(12)= r6(24)-r5(17,2)+r4(13,7)*three-r3(8,9)*three
rrr(13)= r6(25)-r5(18,2)+r4(12,7)+r4(14,7)-r3(7,9)-r3(9,9)+r2(6,17)-r1(2,14)
rrr(14)= r6(26)-r5(19,2)+r4(13,7)*three-r3(8,9)*three
rrr(15)= r6(27)-r5(20,2)+r4(14,7)*six-r3(9,9)*six+r2(6,17)*three-r1(2,14)*three
rxyz( 1)=+r5(5,3)-r4(2,5)+r3(5,13)*three-r2(4,13)*three
rxyz( 2)=+r5(5,4)-r4(2,6)+r3(5,14)*three-r2(4,14)*three
rxyz( 3)=+r4(5,8)-r3(2,10)+r2(6,18)-r1(2,15)
rxyz( 4)=+r4(5,9)-r3(2,11)+r2(6,19)-r1(2,16)
rxyz( 5)=+r4(5,10)-r3(2,12)+r2(6,20)-r1(2,17)
rxyz( 6)=+r3(5,15)-r2(4,15)
rxyz( 7)=+r3(5,16)-r2(4,16)
rxyz( 8)=+r2(6,21)-r1(2,18)
rxyz( 9)=+r5(12,3)-r4(7,5)+r3(5,13)-r2(4,13)
rxyz(10)=+r5(12,4)-r4(7,6)+r3(5,14)-r2(4,14)
rxyz(11)=+r4(12,10)-r3(7,12)+r2(6,20)-r1(2,17)
rxyz(12)=+r5(14,3)-r4(9,5)+r3(5,13)-r2(4,13)
rxyz(13)=+r5(14,4)-r4(9,6)+r3(5,14)-r2(4,14)
rxyz(14)=+r5(9,3)-r4(5,5)+r3(9,13)-r2(6,13)
rxyz(15)=+r5(9,4)-r4(5,6)+r3(9,14)-r2(6,14)
rxyz(16)=+r4(14,8)-r3(9,10)+r2(6,18)-r1(2,15)
rxyz(17)=+r4(14,9)-r3(9,11)+r2(6,19)-r1(2,16)
rxyz(18)=+r4(14,10)-r3(9,12)+r2(6,20)-r1(2,17)
rxyz(19)=+r4(9,8)-r3(5,10)
rxyz(20)=+r4(9,9)*two-r3(5,11)*two
rxyz(21)=+r4(9,10)-r3(5,12)
rxyz(22)=+r3(9,15)-r2(6,15)
rxyz(23)=+r3(9,16)-r2(6,16)
rxyz(24)=+r5(8,3)-r4(4,5)+r3(8,13)-r2(2,13)
rxyz(25)=+r5(8,4)-r4(4,6)+r3(8,14)-r2(2,14)
rxyz(26)=+r4(8,8)-r3(4,10)
rxyz(27)=+r4(8,9)-r3(4,11)
rxyz(28)=+r4(8,10)-r3(4,12)
rxyz(29)=+r3(8,16)-r2(2,16)
rxyz(30)=+r5(13,3)-r4(8,5)
rxyz(31)=+r5(13,4)-r4(8,6)
rxyz(32)=+r4(13,8)-r3(8,10)
rxyz(33)=+r4(13,9)-r3(8,11)
rxyz(34)=+r4(13,10)-r3(8,12)
rxyz(35)=+r4(12,8)-r3(7,10)+r2(6,18)-r1(2,15)
rxyz(36)=+r5(18,3)-r4(12,5)+r3(9,13)-r2(6,13)
rxyz(37)=+r5(18,4)-r4(12,6)+r3(9,14)-r2(6,14)
rxyz(38)=+r5(17,3)-r4(11,5)+r3(8,13)*three-r2(2,13)*three
rxyz(39)=+r5(17,4)-r4(11,6)+r3(8,14)*three-r2(2,14)*three
rxyz(40)=+r5(20,3)-r4(14,5) +r3(9,13)*three-r2(6,13)*three
rxyz(41)=+r5(20,4)-r4(14,6)+r3(9,14)*three-r2(6,14)*three
rxyz(42)=+r5(19,3)-r4(13,5)+r3(8,13)-r2(2,13)
rxyz(43)=+r5(19,4)-r4(13,6)+r3(8,14)-r2(2,14)
rxyz(44)=+r4(12,9)-r3(7,11)+r2(6,19)-r1(2,16)
rxyz(45)=+r3(8,15)-r2(2,15)
case(9)
rrr( 1)= r6(6)-r5(3,1)-r5(3,2)+r4(1,1)+r4(1,2)+r4(6,7)*six-r3(3,5)*six-r3(3,9)*six &
& +r2(1,1)*six+r2(1,5)*six+r2(3,17)*three-r1(3,9)*three-r1(3,14)*three &
& +r0(1)*three+r0(6)*three
rrr( 2)= r6(9)-r5(5,1)-r5(5,2)+r4(2,1)+r4(2,2)+r4(9,7)*three-r3(5,5)*three &
& -r3(5,9)*three+r2(4,1)*three+r2(4,5)*three
rrr( 3)= r6(10)-r5(6,1)-r5(6,2)+r4(3,1)+r4(3,2)+r4(10,7)*three-r3(6,5)*three &
& -r3(6,9)*three+r2(5,1)*three+r2(5,5)*three
rrr( 4)= r6(13)-r5(8,1)-r5(8,2)+r4(4,1)+r4(4,2)+r4(6,7)+r4(13,7)-r3(3,5)-r3(8,5) &
& -r3(3,9)-r3(8,9)+r2(1,1)+r2(2,1)+r2(1,5)+r2(2,5)+r2(3,17)-r1(3,9)-r1(3,14) &
& +r0(1)+r0(6)
rrr( 5)= r6(14)-r5(9,1)-r5(9,2)+r4(5,1)+r4(5,2)+r4(14,7)-r3(9,5)-r3(9,9)+r2(6,1) &
& +r2(6,5)
rrr( 6)= r6(15)-r5(10,1)-r5(10,2)+r4(6,1)+r4(6,2)+r4(6,7)+r4(15,7)-r3(3,5)-r3(10,5) &
& -r3(3,9)-r3(10,9)+r2(1,1)+r2(3,1)+r2(1,5)+r2(3,5)+r2(3,17)-r1(3,9)-r1(3,14) &
& +r0(1)+r0(6)
rrr( 7)= r6(18)-r5(12,1)-r5(12,2)+r4(7,1)+r4(7,2)+r4(9,7)*three-r3(5,5)*three &
& -r3(5,9)*three+r2(4,1)*three+r2(4,5)*three
rrr( 8)= r6(19)-r5(13,1)-r5(13,2)+r4(8,1)+r4(8,2)+r4(10,7)-r3(6,5)-r3(6,9)+r2(5,1) &
& +r2(5,5)
rrr( 9)= r6(20)-r5(14,1)-r5(14,2)+r4(9,1)+r4(9,2)+r4(9,7)-r3(5,5)-r3(5,9)+r2(4,1) &
& +r2(4,5)
rrr(10)= r6(21)-r5(15,1)-r5(15,2)+r4(10,1)+r4(10,2)+r4(10,7)*three-r3(6,5)*three &
& -r3(6,9)*three+r2(5,1)*three+r2(5,5)*three
rrr(11)= r6(24)-r5(17,1)-r5(17,2)+r4(11,1)+r4(11,2)+r4(13,7)*six-r3(8,5)*six &
& -r3(8,9)*six+r2(2,1)*six+r2(2,5)*six+r2(3,17)*three-r1(3,9)*three &
& -r1(3,14)*three+r0(1)*three+r0(6)*three
rrr(12)= r6(25)-r5(18,1)-r5(18,2)+r4(12,1)+r4(12,2)+r4(14,7)*three-r3(9,5)*three &
& -r3(9,9)*three+r2(6,1)*three+r2(6,5)*three
rrr(13)= r6(26)-r5(19,1)-r5(19,2)+r4(13,1)+r4(13,2)+r4(13,7)+r4(15,7)-r3(8,5) &
& -r3(10,5)-r3(8,9)-r3(10,9)+r2(2,1)+r2(3,1)+r2(2,5)+r2(3,5)+r2(3,17) &
& -r1(3,9)-r1(3,14)+r0(1)+r0(6)
rrr(14)= r6(27)-r5(20,1)-r5(20,2)+r4(14,1)+r4(14,2)+r4(14,7)*three-r3(9,5)*three &
& -r3(9,9)*three+r2(6,1)*three+r2(6,5)*three
rrr(15)= r6(28)-r5(21,1)-r5(21,2)+r4(15,1)+r4(15,2)+r4(15,7)*six-r3(10,5)*six &
& -r3(10,9)*six+r2(3,1)*six+r2(3,5)*six+r2(3,17)*three-r1(3,9)*three &
& -r1(3,14)*three+r0(1)*three+r0(6)*three
rxyz( 1)=+r5(6,3)-r4(3,3)-r4(3,5)+r3(1,1)+r3(1,3)+r3(6,13)*three-r2(5,9)*three &
& -r2(5,13)*three+r1(1,1)*three+r1(1,5)*three
rxyz( 2)=+r5(6,4)-r4(3,4)-r4(3,6)+r3(1,2)+r3(1,4)+r3(6,14)*three-r2(5,10)*three &
& -r2(5,14)*three+r1(1,2)*three+r1(1,6)*three
rxyz( 3)=+r4(6,8)-r3(3,6)-r3(3,10)+r2(1,2)+r2(1,6)+r2(3,18)-r1(3,10)-r1(3,15) &
& +r0(2)+r0(7)
rxyz( 4)=+r4(6,9)-r3(3,7)-r3(3,11)+r2(1,3)+r2(1,7)+r2(3,19)-r1(3,11)-r1(3,16) &
& +r0(3)+r0(8)
rxyz( 5)=+r4(6,10)-r3(3,8)-r3(3,12)+r2(1,4)+r2(1,8)+r2(3,20)-r1(3,12)-r1(3,17) &
& +r0(4)+r0(9)
rxyz( 6)=+r3(6,15)-r2(5,11)-r2(5,15)+r1(1,3)+r1(1,7)
rxyz( 7)=+r3(6,16)-r2(5,12)-r2(5,16)+r1(1,4)+r1(1,8)
rxyz( 8)=+r2(3,21)-r1(3,13)-r1(3,18)+r0(5)+r0(10)
rxyz( 9)=+r5(13,3)-r4(8,3)-r4(8,5)+r3(4,1)+r3(4,3)+r3(6,13)-r2(5,9)-r2(5,13) &
& +r1(1,1)+r1(1,5)
rxyz(10)=+r5(13,4)-r4(8,4)-r4(8,6)+r3(4,2)+r3(4,4)+r3(6,14)-r2(5,10)-r2(5,14) &
& +r1(1,2)+r1(1,6)
rxyz(11)=+r4(13,10)-r3(8,8)-r3(8,12)+r2(2,4)+r2(2,8)+r2(3,20)-r1(3,12)-r1(3,17) &
& +r0(4)+r0(9)
rxyz(12)=+r5(15,3)-r4(10,3)-r4(10,5)+r3(6,1)+r3(6,3)+r3(6,13)-r2(5,9)-r2(5,13) &
& +r1(1,1)+r1(1,5)
rxyz(13)=+r5(15,4)-r4(10,4)-r4(10,6)+r3(6,2)+r3(6,4)+r3(6,14)-r2(5,10)-r2(5,14) &
& +r1(1,2)+r1(1,6)
rxyz(14)=+r5(10,3)-r4(6,3)-r4(6,5)+r3(3,1)+r3(3,3)+r3(10,13)-r2(3,9)-r2(3,13) &
& +r1(3,1)+r1(3,5)
rxyz(15)=+r5(10,4)-r4(6,4)-r4(6,6)+r3(3,2)+r3(3,4)+r3(10,14)-r2(3,10)-r2(3,14) &
& +r1(3,2)+r1(3,6)
rxyz(16)=+r4(15,8)-r3(10,6)-r3(10,10)+r2(3,2)+r2(3,6)+r2(3,18)-r1(3,10)-r1(3,15) &
& +r0(2)+r0(7)
rxyz(17)=+r4(15,9)-r3(10,7)-r3(10,11)+r2(3,3)+r2(3,7)+r2(3,19)-r1(3,11)-r1(3,16) &
& +r0(3)+r0(8)
rxyz(18)=+r4(15,10)-r3(10,8)-r3(10,12)+r2(3,4)+r2(3,8)+r2(3,20)-r1(3,12)-r1(3,17) &
& +r0(4)+r0(9)
rxyz(19)=+r4(10,8)-r3(6,6)-r3(6,10)+r2(5,2)+r2(5,6)
rxyz(20)=+r4(10,9)*two-r3(6,7)*two-r3(6,11)*two+r2(5,3)*two+r2(5,7)*two
rxyz(21)=+r4(10,10)-r3(6,8)-r3(6,12)+r2(5,4)+r2(5,8)
rxyz(22)=+r3(10,15)-r2(3,11)-r2(3,15)+r1(3,3)+r1(3,7)
rxyz(23)=+r3(10,16)-r2(3,12)-r2(3,16)+r1(3,4)+r1(3,8)
rxyz(24)=+r5(9,3)-r4(5,3)-r4(5,5)+r3(2,1)+r3(2,3)+r3(9,13)-r2(6,9)-r2(6,13) &
& +r1(2,1)+r1(2,5)
rxyz(25)=+r5(9,4)-r4(5,4)-r4(5,6)+r3(2,2)+r3(2,4)+r3(9,14)-r2(6,10)-r2(6,14) &
& +r1(2,2)+r1(2,6)
rxyz(26)=+r4(9,8)-r3(5,6)-r3(5,10)+r2(4,2)+r2(4,6)
rxyz(27)=+r4(9,9)-r3(5,7)-r3(5,11)+r2(4,3)+r2(4,7)
rxyz(28)=+r4(9,10)-r3(5,8)-r3(5,12)+r2(4,4)+r2(4,8)
rxyz(29)=+r3(9,16)-r2(6,12)-r2(6,16)+r1(2,4)+r1(2,8)
rxyz(30)=+r5(14,3)-r4(9,3)-r4(9,5)+r3(5,1)+r3(5,3)
rxyz(31)=+r5(14,4)-r4(9,4)-r4(9,6)+r3(5,2)+r3(5,4)
rxyz(32)=+r4(14,8)-r3(9,6)-r3(9,10)+r2(6,2)+r2(6,6)
rxyz(33)=+r4(14,9)-r3(9,7)-r3(9,11)+r2(6,3)+r2(6,7)
rxyz(34)=+r4(14,10)-r3(9,8)-r3(9,12)+r2(6,4)+r2(6,8)
rxyz(35)=+r4(13,8)-r3(8,6)-r3(8,10)+r2(2,2)+r2(2,6)+r2(3,18)-r1(3,10)-r1(3,15) &
& +r0(2)+r0(7)
rxyz(36)=+r5(19,3)-r4(13,3)-r4(13,5)+r3(8,1)+r3(8,3)+r3(10,13)-r2(3,9)-r2(3,13) &
& +r1(3,1)+r1(3,5)
rxyz(37)=+r5(19,4)-r4(13,4)-r4(13,6)+r3(8,2)+r3(8,4)+r3(10,14)-r2(3,10)-r2(3,14) &
& +r1(3,2)+r1(3,6)
rxyz(38)=+r5(18,3)-r4(12,3)-r4(12,5)+r3(7,1)+r3(7,3)+r3(9,13)*three-r2(6,9)*three &
& -r2(6,13)*three+r1(2,1)*three+r1(2,5)*three
rxyz(39)=+r5(18,4)-r4(12,4)-r4(12,6)+r3(7,2)+r3(7,4)+r3(9,14)*three-r2(6,10)*three &
& -r2(6,14)*three+r1(2,2)*three+r1(2,6)*three
rxyz(40)=+r5(21,3)-r4(15,3)-r4(15,5)+r3(10,1)+r3(10,3)+r3(10,13)*three &
& -r2(3,9)*three-r2(3,13)*three+r1(3,1)*three+r1(3,5)*three
rxyz(41)=+r5(21,4)-r4(15,4)-r4(15,6)+r3(10,2)+r3(10,4)+r3(10,14)*three &
& -r2(3,10)*three-r2(3,14)*three+r1(3,2)*three+r1(3,6)*three
rxyz(42)=+r5(20,3)-r4(14,3)-r4(14,5)+r3(9,1)+r3(9,3)+r3(9,13)-r2(6,9)-r2(6,13) &
& +r1(2,1)+r1(2,5)
rxyz(43)=+r5(20,4)-r4(14,4)-r4(14,6)+r3(9,2)+r3(9,4)+r3(9,14)-r2(6,10)-r2(6,14) &
& +r1(2,2)+r1(2,6)
rxyz(44)=+r4(13,9)-r3(8,7)-r3(8,11)+r2(2,3)+r2(2,7)+r2(3,19)-r1(3,11)-r1(3,16) &
& +r0(3)+r0(8)
rxyz(45)=+r3(9,15)-r2(6,11)-r2(6,15)+r1(2,3)+r1(2,7)
end select
eri(1,1,j,i)=rrr(1)+(rxyz(1)+rxyz(2))*two*qx+(rxyz(3)+rxyz(4)*four+rxyz(5))*xx &
& +(rxyz(6)+rxyz(7))*two*xxx+rxyz(8)*xxxx
eri(2,1,j,i)=rrr(4)+rxyz(10)*two*qx+rxyz(11)*xx
eri(3,1,j,i)=rrr(6)+rxyz(13)*two*qx+rxyz(14)*two*qz+rxyz(18)*xx+rxyz(20)*two*xz &
& +rxyz(3)*zz+rxyz(23)*two*xxz+rxyz(6)*two*xzz+rxyz(8)*xxzz
eri(4,1,j,i)=rrr(2)+(rxyz(24)+rxyz(25)*two)*qx+(rxyz(27)*two+rxyz(28))*xx &
& +rxyz(29)*xxx
eri(5,1,j,i)=rrr(3)+(rxyz(14)+rxyz(15)*two)*qx+rxyz(1)*qz+(rxyz(20)+rxyz(21))*xx &
& +(rxyz(3)+rxyz(4)*two)*xz+rxyz(23)*xxx+(rxyz(6)*two+rxyz(7))*xxz &
& +rxyz(8)*xxxz
eri(6,1,j,i)=rrr(5)+rxyz(31)*two*qx+rxyz(24)*qz+rxyz(34)*xx+rxyz(27)*two*xz+rxyz(29)*xxz
eri(1,2,j,i)=rrr(4)+rxyz(9)*two*qx+rxyz(35)*xx
eri(2,2,j,i)=rrr(11)
eri(3,2,j,i)=rrr(13)+rxyz(36)*two*qz+rxyz(35)*zz
eri(4,2,j,i)=rrr(7)+rxyz(38)*qx
eri(5,2,j,i)=rrr(8)+rxyz(36)*qx+rxyz(9)*qz+rxyz(35)*xz
eri(6,2,j,i)=rrr(12)+rxyz(38)*qz
eri(1,3,j,i)=rrr(6)+rxyz(12)*two*qx+rxyz(15)*two*qz+rxyz(16)*xx+rxyz(20)*two*xz &
& +rxyz(5)*zz+rxyz(22)*two*xxz+rxyz(7)*two*xzz+rxyz(8)*xxzz
eri(2,3,j,i)=rrr(13)+rxyz(37)*two*qz+rxyz(11)*zz
eri(3,3,j,i)=rrr(15)+(rxyz(40)+rxyz(41))*two*qz+(rxyz(16)+rxyz(17)*four+rxyz(18)) &
& *zz+(rxyz(22)+rxyz(23))*two*zzz+rxyz(8)*zzzz
eri(4,3,j,i)=rrr(9)+rxyz(42)*qx+rxyz(31)*two*qz+rxyz(33)*two*xz+rxyz(28)*zz+rxyz(29)*xzz
eri(5,3,j,i)=rrr(10)+rxyz(40)*qx+(rxyz(12)+rxyz(13)*two)*qz+(rxyz(16)+rxyz(17)*two)*xz &
& +(rxyz(20)+rxyz(21))*zz+(rxyz(22)*two+rxyz(23))*xzz+rxyz(7)*zzz &
& +rxyz(8)*xzzz
eri(6,3,j,i)=rrr(14)+(rxyz(42)+rxyz(43)*two)*qz+(rxyz(33)*two+rxyz(34))*zz+rxyz(29)*zzz
eri(1,4,j,i)=rrr(2)+(rxyz(24)*two+rxyz(25))*qx+(rxyz(26)+rxyz(27)*two)*xx+rxyz(45)*xxx
eri(2,4,j,i)=rrr(7)+rxyz(39)*qx
eri(3,4,j,i)=rrr(9)+rxyz(43)*qx+rxyz(30)*two*qz+rxyz(33)*two*xz+rxyz(26)*zz+rxyz(45)*xzz
eri(4,4,j,i)=rrr(4)+(rxyz(9)+rxyz(10))*qx+rxyz(44)*xx
eri(5,4,j,i)=rrr(5)+(rxyz(30)+rxyz(31))*qx+rxyz(24)*qz+rxyz(33)*xx+(rxyz(26) &
& +rxyz(27))*xz+rxyz(45)*xxz
eri(6,4,j,i)=rrr(8)+rxyz(37)*qx+rxyz(9)*qz+rxyz(44)*xz
eri(1,5,j,i)=rrr(3)+(rxyz(14)*two+rxyz(15))*qx+rxyz(2)*qz+(rxyz(19)+rxyz(20))*xx &
& +(rxyz(4)*two+rxyz(5))*xz+rxyz(22)*xxx+(rxyz(6)+rxyz(7)*two)*xxz &
& +rxyz(8)*xxxz
eri(2,5,j,i)=rrr(8)+rxyz(37)*qx+rxyz(10)*qz+rxyz(11)*xz
eri(3,5,j,i)=rrr(10)+rxyz(41)*qx+(rxyz(12)*two+rxyz(13))*qz+(rxyz(17)*two+rxyz(18))*xz &
& +(rxyz(19)+rxyz(20))*zz+(rxyz(22)+rxyz(23)*two)*xzz+rxyz(6)*zzz &
& +rxyz(8)*xzzz
eri(4,5,j,i)=rrr(5)+(rxyz(30)+rxyz(31))*qx+rxyz(25)*qz+rxyz(33)*xx+(rxyz(27) &
& +rxyz(28))*xz+rxyz(29)*xxz
eri(5,5,j,i)=rrr(6)+(rxyz(12)+rxyz(13))*qx+(rxyz(14)+rxyz(15))*qz+rxyz(17)*xx &
& +(rxyz(19)+rxyz(20)+rxyz(21))*xz+rxyz(4)*zz+(rxyz(22)+rxyz(23))*xxz &