Hi guys,
Recently I am studying the tutorial---lesson-spin provided by the official website. In part 2 they told me to run a python file which will do the cut3d job automatically. Before I ran it I am sure that I have changed the cut3d path to the correct one. But I always get some errors. After reading the .py file I find out that the file tries to specify a ispden=-1 which is not provided by cut3d. I am wondering why this would happen. BTW: There is another place about the interaction:
What is your choice ? Type:
0 => exit
1 => point (interpolation of data for a single point)
2 => line (interpolation of data along a line)
3 => plane (interpolation of data in a plane)
4 => volume (interpolation of data in a volume)
5 => 3D formatted data (output the bare 3D data - one column)
6 => 3D indexed data (bare 3D data, preceeded by 3D index)
7 => 3D Molekel formatted data
8 => 3D data with coordinates (tecplot ASCII format)
9 => output .xsf file for XCrysDen
10 => output .dx file for OpenDx
11 => compute atomic charge using the Hirshfeld method
12 => NetCDF file
14 => Gaussian/cube wavefunction module
However gz2.py always tries to make it 13 which is also a nonexistence value. Does anybody know why this would happen? Thank you very much.
Sincerely,
xiangpisai
Question about the gz2.py file in doc folder
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Re: Question about the gz2.py file in doc folder
Dear, I also have this problem. Is there a solution for it?