[Ifeffit] How to use Artemis with feff85L

[Bruce Ravel]

Yes.  But I am pretty busy these with my new beamline.

"Beamline scientist" is my actual job.  "Software guy" is a side 
project.  So the software work gets done when it gets done.

B



On 01/12/2018 05:25 AM, José Carlos Conesa wrote:
> Dear Bruce,
> 
> Do you foresee that (in a not far future) Artemis may be adapted so that 
> it can use the results of feff8.5L?
> 
> All the best,
> 
> 
> El 12/09/2017 a las 19:11, Bruce Ravel escribió:
>>
>> Feff8L is not properly integrated into Artemis yet.  Sorry.  I have a 
>> new beamline these days.  It's hard to find time to work on the software.
>>
>> This is on my to do list, but it's going to take a while.
>>
>> B
>>
>>
>> On 09/12/2017 12:54 PM, José Carlos Conesa wrote:
>>> Hi,
>>>
>>> I should like to use feff85L within Artemis (from Demeter 0.9.25), 
>>> just to check in my system whether selfconsistency has a role in 
>>> unifying E0 values (with feff 6, allowing different E0 for each 
>>> scatterer leads to E0 differences >10 eV, which seems too much to 
>>> me). I find that after loading the EXAFS data (from Athena) and a 
>>> model (a .cif file containing Cu, Ce and O atoms), if I click Run 
>>> Atoms and then Run Feff with feff6 as executable I get the usual set 
>>> of paths that allow me doing a fit of the data, but if I try to use 
>>> the feff85L.exe that comes with the Demeter software (by changing the 
>>> feff executable in the File/Edit preferences menu), after clicking 
>>> the Run Feff button (without including the SCF card) a bit of 
>>> computation happens and after finishing it the path list is empty.
>>>
>>> ¿Any idea of the possible reason why I get no path list?
>>>
>>> Thanks in advance
>>>
>>
>>
> 


-- 
  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 743, Room 114
  Upton NY, 11973

  Homepage:    http://bruceravel.github.io/home/
  Beamline:    https://www.bnl.gov/ps/beamlines/beamline.php?r=6-BM
  Software:    https://github.com/bruceravel
  Demeter:     http://bruceravel.github.io/demeter/