grid_it with Rydberg


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Posted by Jesús González-Vázquez on April 21, 2006 at 11:09:37:

I have a problem using the stament GRID in the GRID_IT module.
I have tried a lot of ways to expand the coordinates of the grid to see the Rydberg orbitals, my last input is:
&GRID_IT &END
ascii
npoints
64 64 64
grid
-50 50
-50 50
-50 50
End of Input

but before I use:
grid 3
-50 50
-50 50
-50 50
,
grid
-50 50 -50 50 -50 50
,
grid
3
-50 50
-50 50
-50 50


The program give me a error of memory as it want to allocate negative memory...

Any body has an idea?


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