[GSAS-II] Incorrect Atom Weight for Rhodium

Mark Johnson mjohnson at physics.wustl.edu
Wed May 28 11:28:40 CDT 2014


Hello all,

I have identified an error in the data read or import for the element 
Rhodium. The Atom Weight parameter reads in as 0.590 rather than 102.906 
(which seems to be in the correct location in the atmdata.dat file but 
nonetheless gets imported incorrectly). I have tried several other 
elements including Zr, Fe, Ru, Ni, and O and all of them appear to read 
in correctly. This incorrect atom weight is also used in the density 
calculation, giving incorrect values for that parameter as well. I'm 
currently using version 1350 of the program. I couldn't find an official 
location to report program bugs, so I apologize if I'm posting this in 
the wrong place.

Thanks

-- 
Mark Johnson
Physics Graduate Student
Washington University in St. Louis
mjohnson at physics.wustl.edu



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