[molpro-user] Parser: vector out of boundary (8)

[Andy May]

Yulia,

The input works for me. Can you send the output file, and if this was a 
source code install, the CONFIG file from the build?

Best wishes,

Andy

On 20/06/11 13:11, Yulia Kalugina wrote:
> Dear Molpro community,
>
> does anyone know what it could be. I've got the following error:Parser:
> vector out of boundary (8)
> Thank uou in advance,
>
>
> Yulia KALUGINA
> Assistant Professor
> Department of Optics and Spectroscopy
> Tomsk State University, RUSSIA
>
>
> Here is the input
> _____________
> memory,100,m
> symmetry,nosym
> gthresh,energy=1.d-10,orbital=1.d-8
> geometry={angstrom
> 1,C1,, 0., 0., 0.
> 2,H2,, 0.629254 0.629254 0.629254
> 3,H3,, -0.629254 -0.629254 0.629254
> 4,H4,, -0.629254 0.629254 -0.629254
> 5,H5,, 0.629254 -0.629254 -0.629254
> }
> basis=avtz
> hf
> mp2
>
> ener0=energy
>
> fieldsF=[0.0025]
>
> do i=1,#fieldsF
> F=fieldsF(i)
>
> FF=0.00001
>
>
>
> !x,y,xxx
> !x,y,xxy
> !x,y,xyy
> !x,y,xxz
> !x,y,xzz
> !x,y,yyz
> !x,y,yzz
>
>
>
> field,xxx,FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> enerxxx_x_y_1=energy
>
> field,xxx,FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> enerxxx_x_y_2=energy
>
> field,xxx,FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> enerxxx_x_y_3=energy
>
> field,xxx,FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> enerxxx_x_y_4=energy
>
>
> field,xxx,-FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> enerxxx_x_y_5=energy
>
> field,xxx,-FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> enerxxx_x_y_6=energy
>
> field,xxx,-FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> enerxxx_x_y_7=energy
>
> field,xxx,-FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> enerxxx_x_y_8=energy
>
>
>
>
> field,xxy,FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> enerxxy_x_y_1=energy
>
> field,xxy,FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> enerxxy_x_y_2=energy
>
> field,xxy,FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> enerxxy_x_y_3=energy
>
> field,xxy,FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> enerxxy_x_y_4=energy
>
>
> field,xxy,-FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> enerxxy_x_y_5=energy
>
> field,xxy,-FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> enerxxy_x_y_6=energy
>
> field,xxy,-FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> enerxxy_x_y_7=energy
>
> field,xxy,-FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> enerxxy_x_y_8=energy
>
>
>
>
> field,xyy,FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> enerxyy_x_y_1=energy
>
> field,xyy,FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> enerxyy_x_y_2=energy
>
> field,xyy,FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> enerxyy_x_y_3=energy
>
> field,xyy,FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> enerxyy_x_y_4=energy
>
>
> field,xyy,-FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> enerxyy_x_y_5=energy
>
> field,xyy,-FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> enerxyy_x_y_6=energy
>
> field,xyy,-FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> enerxyy_x_y_7=energy
>
> field,xyy,-FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> enerxyy_x_y_8=energy
>
>
>
>
> field,xxz,FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> enerxxz_x_y_1=energy
>
> field,xxz,FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> enerxxz_x_y_2=energy
>
> field,xxz,FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> enerxxz_x_y_3=energy
>
> field,xxz,FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> enerxxz_x_y_4=energy
>
>
> field,xxz,-FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> enerxxz_x_y_5=energy
>
> field,xxz,-FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> enerxxz_x_y_6=energy
>
> field,xxz,-FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> enerxxz_x_y_7=energy
>
> field,xxz,-FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> enerxxz_x_y_8=energy
>
>
>
>
> field,xzz,FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> enerxzz_x_y_1=energy
>
> field,xzz,FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> enerxzz_x_y_2=energy
>
> field,xzz,FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> enerxzz_x_y_3=energy
>
> field,xzz,FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> enerxzz_x_y_4=energy
>
>
> field,xzz,-FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> enerxzz_x_y_5=energy
>
> field,xzz,-FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> enerxzz_x_y_6=energy
>
> field,xzz,-FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> enerxzz_x_y_7=energy
>
> field,xzz,-FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> enerxzz_x_y_8=energy
>
>
>
>
> field,yyz,FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> eneryyz_x_y_1=energy
>
> field,yyz,FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> eneryyz_x_y_2=energy
>
> field,yyz,FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> eneryyz_x_y_3=energy
>
> field,yyz,FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> eneryyz_x_y_4=energy
>
>
> field,yyz,-FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> eneryyz_x_y_5=energy
>
> field,yyz,-FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> eneryyz_x_y_6=energy
>
> field,yyz,-FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> eneryyz_x_y_7=energy
>
> field,yyz,-FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> eneryyz_x_y_8=energy
>
>
>
>
> field,yzz,FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> eneryzz_x_y_1=energy
>
> field,yzz,FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> eneryzz_x_y_2=energy
>
> field,yzz,FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> eneryzz_x_y_3=energy
>
> field,yzz,FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> eneryzz_x_y_4=energy
>
>
> field,yzz,-FF
> field+,dmx,F
> field+,dmy,F
> hf
> mp2
> eneryzz_x_y_5=energy
>
> field,yzz,-FF
> field+,dmx,F
> field+,dmy,-F
> hf
> mp2
> eneryzz_x_y_6=energy
>
> field,yzz,-FF
> field+,dmx,-F
> field+,dmy,F
> hf
> mp2
> eneryzz_x_y_7=energy
>
> field,yzz,-FF
> field+,dmx,-F
> field+,dmy,-F
> hf
> mp2
> eneryzz_x_y_8=energy
>
>
>
>
>
>
>
>
> duxyxxx=-(-(enerxxx_x_y_1-enerxxx_x_y_2-enerxxx_x_y_3+enerxxx_x_y_4)+(enerxxx_x_y_5-enerxxx_x_y_6-enerxxx_x_y_7+enerxxx_x_y_8))/(3*2*2*FF*F*F)
> duxyxxy=-(-(enerxxy_x_y_1-enerxxy_x_y_2-enerxxy_x_y_3+enerxxy_x_y_4)+(enerxxy_x_y_5-enerxxy_x_y_6-enerxxy_x_y_7+enerxxy_x_y_8))/(3*2*2*FF*F*F)
> duxyxyy=-(-(enerxyy_x_y_1-enerxyy_x_y_2-enerxyy_x_y_3+enerxyy_x_y_4)+(enerxyy_x_y_5-enerxyy_x_y_6-enerxyy_x_y_7+enerxyy_x_y_8))/(3*2*2*FF*F*F)
> duxyxxz=-(-(enerxxz_x_y_1-enerxxz_x_y_2-enerxxz_x_y_3+enerxxz_x_y_4)+(enerxxz_x_y_5-enerxxz_x_y_6-enerxxz_x_y_7+enerxxz_x_y_8))/(3*2*2*FF*F*F)
> duxyxzz=-(-(enerxzz_x_y_1-enerxzz_x_y_2-enerxzz_x_y_3+enerxzz_x_y_4)+(enerxzz_x_y_5-enerxzz_x_y_6-enerxzz_x_y_7+enerxzz_x_y_8))/(3*2*2*FF*F*F)
> duxyyyz=-(-(eneryyz_x_y_1-eneryyz_x_y_2-eneryyz_x_y_3+eneryyz_x_y_4)+(eneryyz_x_y_5-eneryyz_x_y_6-eneryyz_x_y_7+eneryyz_x_y_8))/(3*2*2*FF*F*F)
> duxyyzz=-(-(eneryzz_x_y_1-eneryzz_x_y_2-eneryzz_x_y_3+eneryzz_x_y_4)+(eneryzz_x_y_5-eneryzz_x_y_6-eneryzz_x_y_7+eneryzz_x_y_8))/(3*2*2*FF*F*F)
>
>
>
> enddo
>
> 
>
>
>
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