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

[Yulia Kalugina]

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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