[Ifeffit] ERROR in getting feff8 input file for YBCO from Web atoms

[Barton, David (DG)]

Feng, Matt,

The problem appears to be caused by a error in parsing the Titles portion of this one particular ATOMS.INP file.  If you delete the entire reference #2 in the titles area WEBAtoms runs fine. (refer2:   Cava,  et al,  Physica C 165, p.419, (1990)).

Error can be reproduced by:
1) Choose YBa2Cu3O7.inp : yttrium barium copper oxide ( 123 , ybco) entry in http://cars9.uchicago.edu/cgi-bin/atoms/Atoms-Search.cgi and run WebAtoms
2) Choose K-edge 
3) Run ATOMS (You will see the ERROR ACCESS Denied)

The work around:
1) Choose YBa2Cu3O7.inp : yttrium barium copper oxide ( 123 , ybco) entry in http://cars9.uchicago.edu/cgi-bin/atoms/Atoms-Search.cgi and run WebAtoms
2) Choose K-edge 
3) Delete (refer2:   Cava,  et al,  Physica C 165, p.419, (1990)) in the header.
4) Run ATOMS (and it now works fine).

Dave

>-----Original Message-----
>From: ifeffit-bounces at millenia.cars.aps.anl.gov 
>[mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf 
>Of Feng Wang
>Sent: Wednesday, February 07, 2007 2:01 AM
>To: XAFS Analysis using Ifeffit
>Subject: Re: [Ifeffit] ERROR in getting feff8 input file for 
>YBCO from Webatoms
>
>Thank you, Paul, for clarifying this problem.
>
>Sincerely,
>
>Feng
>
>
>> Just to follow on this -- I can access the YBCO atoms entry (via a 
>> search).  The atoms.inp pops up correctly, but when I 
>attempted to run 
>> atoms, I got the same error message.  The error doesn't come from my 
>> end (as far as I can tell). The problem seems to be with the 
>execution 
>> of atoms (e.g. hitting the button "Run atoms".).  The cgi is 
>probably 
>> broken.
>> 
>> 					Paul
>> 
>> ERROR
>> 
>> Access Denied
>> 
>> Access Denied by security policy
>> The security policy for your network prevents your request 
>from being 
>> allowed at this time. Please contact your administrator if you feel 
>> this is incorrect.
>> 
>> On Feb 3, 2007, at 2:42 AM, Matt Newville wrote:
>> 
>> > Hi Feng,
>> >
>> > Sorry for the trouble.   I'm not sure where the problem 
>is.  I can get
>> > files from the Atoms archive from home (ie, outside the Argonne 
>> > network), and I don't see any recent errors in the logs, 
>suggesting 
>> > that both the server connections and the access through the Argonne
>> > and APS firewalls are working.    Could it be that the 
>trouble is at
>> > your end?
>> >
>> > Perhaps we can troubleshoot this a little better. Does the 'search 
>> > for Atoms.inp' page
>> >      http://cars9.uchicago.edu/~newville/adb/search.html
>> > appear for you?  Is it responsive?
>> >
>> > Can you select a central atoms, a structure, and then hit 'Run 
>> > Webatoms'?
>> >
>> > Can you browse to http://cars9.uchicago.edu/atomsdb/ and 
>see a large 
>> > number of atoms.inp files? Can you select and download 
>some of these 
>> > files?
>> >
>> > Hope that helps,
>> >
>> > --Matt
>> > _______________________________________________
>> > Ifeffit mailing list
>> > Ifeffit at millenia.cars.aps.anl.gov
>> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>> 
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