It is even pretty easy in the old Artemis. No need to load data just
start from Theory and make a new Atoms input file then use the Theory menu
to Write Special Output.
Carlo
On Tue, 9 Aug 2016, Matthew Marcus wrote:
Oh, the Demeter menu. I was looking in Artemis itself. Thanks!
Oh, the Demeter menu. I was looking in Artemis itself. Thanks!
mam
On 8/9/2016 11:07 AM, Bruce Ravel wrote:
On 08/09/2016 01:50 PM, Matthew Marcus wrote:
This actually results in a bit of inconvenience - if you want to use
ATOMS, you have to load some data into Artemis and pretend you
On Tue, Aug 9, 2016 at 1:07 PM, Bruce Ravel wrote:
> On 08/09/2016 01:50 PM, Matthew Marcus wrote:
>
>> This actually results in a bit of inconvenience - if you want to use
>> ATOMS, you have to load some data into Artemis and pretend you want to
>> analyze it.
>>
>
> There is a "Stand-alone Atom
On 08/09/2016 01:50 PM, Matthew Marcus wrote:
This actually results in a bit of inconvenience - if you want to use
ATOMS, you have to load some data into Artemis and pretend you want to
analyze it.
There is a "Stand-alone Atoms" item in the frickin' Start Menu. How
does that constitute an inc
This actually results in a bit of inconvenience - if you want to use ATOMS, you
have to load some data into Artemis and pretend you want to analyze it.
Another thing for a newbie to beware of - if you have inequivalent sites for
your absorbing atom, you have to run ATOMS and FEFF separately for
Hi Ed,
In case it’s not clear, ATOMS is built in to Artemis. (Long, long ago ATOMS was
a separate program, so many people still refer to that functionality of Artemis
by that name.)
—Scott Calvin
Sarah Lawrence College
> On Aug 9, 2016, at 12:40 PM, Matthew Marcus wrote:
>
> There are two di
There are two different input files which take the extension .inp. One is the
feff.inp file, which is the input to FEFF and contains a list of
coordinates (Cartesian, not crystallographic) of all atoms surrounding an
absorpber atom out to a certain distance. ATOMS produces this. The other
is
I see. Thank you for the insight!
Is it possible to create the same .inp or .cif file in FEFF6 (or any of the
FEFF versions) as well?
Or is the ATOMS program the most recommended software to perform this task?
Regards,
Ed Han
On Mon, Aug 8, 2016 at 5:12 PM, Carlo Segre wrote:
>
> Hi Ed:
>
>