[Wien] spagh2rho Output Files

[Gavin Abo]

The fort.xx format should be described in the post at:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-December/018026.html

There is fort2dx [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08441.html 
] if you need to convert it to dx format.  The fort2dx should be in 
wien2dfsdx on the WIEN2k unsupported page [ 
http://susi.theochem.tuwien.ac.at/reg_user/unsupported/ ].

On 5/22/2018 8:01 AM, Matthew D Redell wrote:
> Hello,
>
> I was wondering if someone could give me insight into the form of the 
> fort.xx output files from spagh2rho? For example, I can see that for a 
> simple cubic case with 6x6x1 kmesh, the NXinter and NYinter would both 
> be 11, and the program outputs 121 values in the fort.xx file. How are 
> those values ordered?
>
> Many thanks,
>
> Matt
>
> ------------------------
> Matthew D Redell
> /Graduate Student/
> /Department of Physics, Applied Physics, and Astronomy/
> *Binghamton University-State University of New York*
> E-mail: mredell1 at binghamton.edu <mailto:mredell1 at binghamton.edu>
> Office: SN-2011D

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