atoms ([EMAIL PROTECTED])
> 4. Feff for > 175 atoms (appendix) ([EMAIL PROTECTED])
> 5. Re: Feff for > 175 atoms (appendix) (Bruce Ravel)
>
>
> ------------------
>
> Message: 1
> Date: Mon, 20 Aug 2007 10:59:25 +
On Monday 20 August 2007, [EMAIL PROTECTED] wrote:
> i opened the one big feff84.f file and searched for "nclusx=175" and
> changed this to "nclusx=300" in the whole file. Then i compiled it with
> f77 -o and so on. I started my feff-run and it seems to be good. Is this
> proceeding wise? I don't k
Hello Bruce,
i opened the one big feff84.f file and searched for "nclusx=175" and
changed this to "nclusx=300" in the whole file. Then i compiled it with
f77 -o and so on. I started my feff-run and it seems to be good. Is this
proceeding wise? I don't know much about such things :-/
Thanks for yo
Hello Bruce,
thanks for your fast answer. Excuse me, for the stupid question. But i
can't find the packed (linux)source-code for feff with slew of
directories. I only found one single file, the feff84.f or the
feff84.tar.gz or the feff84.zip (which contains only the feff84.f file) on
the feff-dist
On Monday 20 August 2007, [EMAIL PROTECTED] wrote:
> Hello,
> i tried to run feff with a atomcluster of 249 atoms (under linux) and got
> this message:
>
> You specified a cluster of 249 atoms for the FMS calculation.
> This exceeds the hard wired limit of 175 atoms.
> The cluster size was reset to
Hello,
i tried to run feff with a atomcluster of 249 atoms (under linux) and got
this message:
You specified a cluster of 249 atoms for the FMS calculation.
This exceeds the hard wired limit of 175 atoms.
The cluster size was reset to 175 and the calculation will continue.
Then i made a feff-run
