- Ifeffit - millenia.cars.aps.anl.gov

Re: [Ifeffit] Ifeffit Digest, Vol 78, Issue 8
by abhijeet gaur 12 Aug '09

12 Aug '09

Re ( Athena User Guide) Hello, Is it the same user guide that comes with the ATHENA software ? If not I also need a copy. Abhijeet On 8/12/09, ifeffit-request(a)millenia.cars.aps.anl.gov < ifeffit-request(a)millenia.cars.aps.anl.gov> wrote: > > Send Ifeffit mailing list submissions to > ifeffit(a)millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-request(a)millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-owner(a)millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > > 1. Re: Athena User Guide?FCFS (Julie Olmsted Cross) > 2. Re: Athena User Guide?FCFS (Stefano Ciurli) > 3. Re: Athena User Guide?FCFS (Julie Olmsted Cross) > 4. Athena User Guide?All gone (Julie Olmsted Cross) > 5. Re: Athena User Guide?FCFS (goodhei8(a)gmail.com) > 6. Re: Athena User Guide?FCFS (valmor) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Tue, 11 Aug 2009 14:21:16 -0500 > From: Julie Olmsted Cross <jox(a)aps.anl.gov> > Subject: Re: [Ifeffit] Athena User Guide?FCFS > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <ABF43A66-D8BB-4A49-83B4-031CE3290B06(a)aps.anl.gov> > Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed > > I just found two more, bringing the total to 12. I'll give you two. > > On Aug 11, 2009, at 1:49 PM, Matt Newville wrote: > > > I never got one.... > > > > --Matt > > > > On Tue, Aug 11, 2009 at 1:47 PM, Julie Olmsted > > Cross<jox(a)aps.anl.gov> wrote: > >> I have ten copies of the Athena User Guide leftover from the 2009 > >> APS XAFS > >> School. If you want one, send me your mailing address. First come, > >> first > >> served. > >> > >> ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ > >> Dr. Julie O. Cross > >> User Technical Interface > >> APS Engineering Support Division > >> Argonne National Laboratory > >> 9700 South Cass Ave., Bldg. 401/B4204 > >> Argonne IL 60439-4801 > >> tel: 630 252 0592 > >> fax: 630 252 7187 > >> ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ > >> > >> > >> > >> _______________________________________________ > >> Ifeffit mailing list > >> Ifeffit(a)millenia.cars.aps.anl.gov > >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > >> > >> > > > > _______________________________________________ > > Ifeffit mailing list > > Ifeffit(a)millenia.cars.aps.anl.gov > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ > Dr. Julie O. Cross > User Technical Interface > APS Engineering Support Division > Argonne National Laboratory > 9700 South Cass Ave., Bldg. 401/B4204 > Argonne IL 60439-4801 > > tel: 630 252 0592 > fax: 630 252 7187 > ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ > > > > > > ------------------------------ > > Message: 2 > Date: Tue, 11 Aug 2009 21:27:14 +0200 > From: Stefano Ciurli <stefano.ciurli(a)unibo.it> > Subject: Re: [Ifeffit] Athena User Guide?FCFS > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <B486A028-9A31-4E68-9994-9337A62C7DCC(a)unibo.it> > Content-Type: text/plain; charset="us-ascii" > > I would like one > Stefano > > On 11 ago 2009, at 20:47, Julie Olmsted Cross wrote: > > > I have ten copies of the Athena User Guide leftover from the 2009 > > APS XAFS School. If you want one, send me your mailing address. > > First come, first served > > ______________________________ > > Stefano Ciurli > Laboratory of Bioinorganic Chemistry > http://bioinorg.agrsci.unibo.it/ > Department of Agro-Environmental Science and Technology > University of Bologna > Viale Giuseppe Fanin, 40 > I-40127 Bologna > Italy > Phone: +39-051-209-6204 > Fax: +39-051-209-6203 > > http://www.cerm.unifi.it/home/ > http://www.isa.unibo.it/ISA/ > http://www.biocomp.unibo.it/unibonet/ > > "Fatti non foste a viver come bruti, > ma per seguir virtute e canoscenza" > Dante Alighieri - Inferno - Canto XXVI > > "Ihr seid bestimmt, nicht Tieren gleich zu leben, > Nein, Tugend zu erringen und Erkenntnis" > "Ye were not form'd to live the life of brutes, > But virtue to pursue and knowledge high" > >

1 0

Athena User Guide—All gone
by Julie Olmsted Cross 11 Aug '09

11 Aug '09

~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ Dr. Julie O. Cross User Technical Interface APS Engineering Support Division Argonne National Laboratory 9700 South Cass Ave., Bldg. 401/B4204 Argonne IL 60439-4801 tel: 630 252 0592 fax: 630 252 7187 ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~

1 0

Re: [Ifeffit] Athena User Guide—FCFS
by Frantisek Majs 11 Aug '09

11 Aug '09

Franta Majs Apt 1725 124 Grande Brook Circle Wakefield RI 02879 ---- Original message ---- >Date: Tue, 11 Aug 2009 13:47:29 -0500 >From: Julie Olmsted Cross <jox(a)aps.anl.gov> >Subject: [Ifeffit] Athena User Guide—FCFS >To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > > I have ten copies of the Athena User Guide leftover > from the 2009 APS XAFS School. If you want one, send > me your mailing address. First come, first served. > > ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ > Dr. Julie O. Cross > User Technical Interface > APS Engineering Support Division > Argonne National Laboratory > 9700 South Cass Ave., Bldg. 401/B4204 > Argonne IL 60439-4801 > tel: 630 252 0592 > fax: 630 252 7187 > ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ >________________ >_______________________________________________ >Ifeffit mailing list >Ifeffit(a)millenia.cars.aps.anl.gov >http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

1 0

Is it legitimate to merge transmission data with fluorescence data?
by jrkizews＠ncsu.edu 11 Aug '09

11 Aug '09

Dear XAFS community members, I have a question concerning data merge. We normally collect XAFS data in both transmission mode and fluorescence mode. We normally have to merge a few scans to enhance signal-to-noise ratio. For one particular sample, I want to know if it is legitimate to merge its transmission scans with its fluorescence scans to improve data quality? I appreciate any input. Regards. Fiona Kizewski North Carolina State University Department of Chemistry

6 6

Re: [Ifeffit] Installation of FEFF8 on IFEFFIT
by Bruce Ravel 11 Aug '09

11 Aug '09

> I have a question of the FEFF8 installation in IFEFFIT on a window XP. > I know that the IFEFFIT includes FEFF6, and I have the licence of FEFF8. > I have used IFEFFIT with FEFF6 on the window and FEFF8 in a LINUX system. > Now I want to use the FEFF6 on the windos XP. > After I unzipped the ifeffit package, I find binary files, including > feff6l.exe, in the bin directory. May I copy the FEFF8.exp file into the > directory and rename FEFF8.exe to feff6l.exe? Or is there any other way to > select different versions of FEFF from Atermis? Han, I am CCing my answer to the Ifeffit mailing list, as this is an appropriate question for the list. Artemis is quite happy using Feff8 for EXAFS analysis, although the advantage of Feff8 for EXAFS analysis over Feff6 is rather marginal. You will need to configure Artemis to use Feff8 correctly. In the Edit menu, select Edit preferences. Change the Atoms->feff_version parameter to 8. Then change the Feff->feff_executable parameter to the fully qualified location of the Feff8 executable. That is, you must type in something like "C:\Software\Feff8\feff8.exe". To the best of my knowledge, that will work correctly. B -- Bruce Ravel ------------------------------------ bravel(a)bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

2 1

Re: [Ifeffit] Kapton in glove box (Todd Monson)
by Monson, Todd 06 Aug '09

06 Aug '09

Thanks for all your comments regarding kapton tape and measuring air and moisture sensitive compounds. Many of my samples are indeed air sensitive and not just moisture sensitive (iron nanoparticles). If my particles are dispersed in solvent will the kapton be resistant to that solvent (at least during the time that the solvent is evaporating from the tape in the glove box)? Darek mentioned kapton dots - could you tell me where I can purchase these? Thanks again for everyone's help, I thought this mailing list was primarily for software related questions but I am finding it is useful to get help on any XAFS related questions. Todd -----Original Message----- From: ifeffit-bounces(a)millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of ifeffit-request(a)millenia.cars.aps.anl.gov Sent: August 06, 2009 1:50 AM To: ifeffit(a)millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 78, Issue 3 Send Ifeffit mailing list submissions to ifeffit(a)millenia.cars.aps.anl.gov To subscribe or unsubscribe via the World Wide Web, visit http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit or, via email, send a message with subject or body 'help' to ifeffit-request(a)millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner(a)millenia.cars.aps.anl.gov When replying, please edit your Subject line so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. Re: Kapton in glove box (Scott Calvin) 2. Re: Kapton in glove box (Zajac, Dariusz A.) 3. Re: Kapton in glove box (Maurits van den Berg) ---------------------------------------------------------------------- Message: 1 Date: Wed, 05 Aug 2009 20:47:48 -0400 From: Scott Calvin <SCalvin(a)slc.edu> Subject: Re: [Ifeffit] Kapton in glove box To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> Cc: Scott Calvin <scalvin(a)slc.edu> Message-ID: <025FE360-0E9F-4421-A22D-2074D838AFB7(a)slc.edu> Content-Type: text/plain; charset="us-ascii" Good point on the cardboard, Richard. I always pre-cut strips of Kapton tape, so that I wasn't bringing in cardboard at all. --Scott Calvin Sarah Lawrence College On Aug 5, 2009, at 8:13 PM, Richard Mayes wrote: > Todd, > > Are you working with oxygen sensitive or moisture sensitive samples > (or both)? If it's just moisture sensitive, then you can use regular > 2-sided tape from your local office supply and polypropylene film to > seal samples in polycarbonate or aluminum holders (or even pellets if > you're lucky enough to be able to press pellets that hold their > shape). Chemplex Industries is where I have gotten the polypropylene > films I have used (and Kapton as well - www.findtape.com also has a > good selection of Kapton tape). > > I used this method with many samples that involved heavily chlorided > titanium on silica and had few problems if they're used within 5-7 > days after packing in a glove box (the samples with problems resulted > from improperly sealed samples). You can get jars (baby food jars > work very well to ship individual samples) to store the samples for > shipping and if you pack the jars in the glove box, you will have the > box atmosphere in the jars, for a little while anyway. > > A note on oxygen sensitivity (and to an extent moisture > sensitivity): you probably already know this, but I'll say it > anyway...if cardboard is present in the role of Kapton tape, you may > have oxygen/water diffusion from the cardboard for a few days after > you take it into the box. Our rule of thumb was to pull vacuum on > anything involving cardboard for at least 48 hrs before taking it into > the box. All that to say, take your supplies into the box a few days > ahead of time to allow your box catalyst to take care of any residual > oxygen/water that make their way in. > > HTH, > -Richard

3 2

Kapton in glove box
by Scott Calvin 06 Aug '09

06 Aug '09

Hi Todd, I've taken the liberty of posting your question to the Ifeffit mailing list. You're likely to get more accurate and quicker answers to these kinds of questions there. (For the rest of you: Todd is asking about the technique of preparing air-sensitive samples in a glove box, putting them on Kapton tape, sealing them in plastic bags, and transporting them to the beamline, shooting right through the bags.) I'll take my shots, though: It's hard for me to imagine adsorbed oxygen on the Kapton being more significant than the other sources of stray oxygen that can be present in a glove box. After all, the Kapton's in there too. And I don't think it's going to be more significant than the oxygen that diffuses through the plastic bags during transport. The thinner the Kapton tape, the better, as that will minimize the absorption due to the tape. It used to be hard to find 1 mil Kapton tape with adhesive, but now it's easy. Hephaestus will give you the absorption of Kapton, so you can judge how big an effect it will be at the energies at which you'll work. --Scott Calvin Sarah Lawrence College On Aug 4, 2009, at 2:39 PM, Monson, Todd wrote: > Scott, > > Thanks. Is it pretty reasonable to assume that the kapton tape that > you put your samples on doesn’t have any adsorbed oxygen that could > affect your samples? Do you do anything to clean the kapton? Where > are some good places to buy the kapton (and do you need to purchase > rather thin kapton tape for doing XAFS)? > > Thanks again, > > Todd > > From: Scott Calvin > Sent: August 04, 2009 11:34 AM > To: Monson, Todd > Cc: Scott Calvin > Subject: Re: mossbauer > > Hi Todd, > > Regular zip-loc bags work just fine. For heat sealers I've used > everything from a heat sealer manufactured for the purpose to a > little propane torch--even a cigarette lighter should work. Putting > one sealed bag inside another, if the energy you're working at > allows it, seems to work quite well. > > --Scott > > > On Aug 4, 2009, at 1:15 PM, Monson, Todd wrote: > > > Scott, > > I had another question – what kind of plastic bags and heat sealers > do you use for sealing up your air-sensitive XAFS samples? And > where could I buy them? > > Thanks, > > Todd >

4 4

Re: [Ifeffit] Ifeffit Digest, Vol 77, Issue 30
by Eugenio Otal 04 Aug '09

04 Aug '09

Hi Rafael, I usually use the same compiler with the option -o only I will try the -O0 option. Thanks, euG 2009/7/31 <ifeffit-request(a)millenia.cars.aps.anl.gov> > Send Ifeffit mailing list submissions to > ifeffit(a)millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-request(a)millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-owner(a)millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > > 1. Re: NLEG (Rafael Rodr?guez Pappalardo) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Thu, 30 Jul 2009 12:22:47 +0200 > From: Rafael Rodr?guez Pappalardo <rafapa(a)us.es> > Subject: Re: [Ifeffit] NLEG > To: ifeffit(a)millenia.cars.aps.anl.gov > Message-ID: <200907301222.47267.rafapa(a)us.es> > Content-Type: Text/Plain; charset="us-ascii" > > Dear Eugenio, > which compiler was used to compile FEFF? > I have "solved" the problem compiling with Intel Fortran with -O0. > > Best regards, > > Rafael > -- > Dr. Rafael R. Pappalardo > Dept. of Physical Chemistry, Univ. de Sevilla (Spain) > e-mail: rafapa(a)us.es > > > ------------------------------ > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > > End of Ifeffit Digest, Vol 77, Issue 30 > *************************************** >

1 0

conventional unit cell to primitive cell
by Mudit Dixit 30 Jul '09

30 Jul '09

Dear sir , If you have found any way convert conventional unit cell to primitive cell please tell me I am also looking for it. I have material studio if you know how to do it material studio please tell me. -- With Best Regards, Mudit Dixit JRF c/o Dr. Saurav Pal Physical Chemistry Division, Center For Excellence in Advance Computing PUNE ,INDIA

2 1

Re: [Ifeffit] NLEG
by Rafael Rodríguez Pappalardo 30 Jul '09

30 Jul '09

Dear Eugenio, which compiler was used to compile FEFF? I have "solved" the problem compiling with Intel Fortran with -O0. Best regards, Rafael -- Dr. Rafael R. Pappalardo Dept. of Physical Chemistry, Univ. de Sevilla (Spain) e-mail: rafapa(a)us.es

1 0