Re: Fe3O4 + nphx = 7

[Jeff Terry <terryj@iit.edu>]

Peter,

That is good news. I thought that you could only get the LDOS with nphx 
> 7.  I didn't think to change a string.
I will try this with more potentials.

Thanks,

Jeff


On Thursday, July 3, 2003, at 02:47 AM, Peter Liebisch wrote:

> Hi Jeff,
>
> as far as I experienced the limit of 8 potentials ( nphx = 7) can be 
> changed  and if this is done  the code eventualy  produces a 
> segmentation fault. Actually thats what you told me that half a year 
> ago. Now I suppose the error is due to the string containing the 
> potential labels: if you change feff82.f in line 20840
>
> character*128 string
>
> and in 25608 again
>
> ... string*128 ....
>
> into something with 256 or larger it works with more potentials & 
> labels (I've tried 16) all the way to the end.
>
> Peter
>
> Jeff Terry wrote:
>
> > I have had good luck with creating multiple potentials for Mn 
> > compounds. The
> > only major difficulty is the limit of 8 potentials if you need a 
> > calculated chi function.
> >
> > Jeff
> __________________________________
> Peter Liebisch
> Freie Universität Berlin
> Fachbereich Physik
> Arnimallee 14
> D-14195 Berlin
>
> phone: (49) 30-8385-6840
> fax:   (49) 30-8385-6299
> email: peter.liebisch@physik.fu-berlin.de