Cleaning up obsolete Rietveld_L email addresses

2004-11-15 Thread Alan Hewat
Dear Rietveld list members, The Rietveld mailing list now contains almost 1000 addresses, but some of them are obsolete and regularly bounce. Our IT people have asked me to clean up the mailing list, and I am therefore deleting all addresses that give problems, or no longer appear to work. If

error-like message of inputting raw data

2004-11-15 Thread Ling Fei Zhang
Dear GSAS people, Here is Lingfei, and I am sorry for bothering you, given incapability of reading this error-like message, when I get into the step to input the "raw histogram input file name", i.e., what I put in is, xr95630.gsa, and I make sure all the files are in the working directory,

error-like message of inputting raw data

2004-11-15 Thread Von Dreele, Robert B.
Dear Ling Fei ( others), GSAS requires all powder data to be records 80 visible characters long and each terminated with an additional 2 characters (CR LF). Thus, the length of the file in bytes should be divisible by 82. CNVFILE will try to fix this; it does not do any other formatting.

Re: Rigid body constraints on perovskite structured materials

2004-11-15 Thread Brian H. Toby
As per Brian Toby's advice on using strong restraints instead of rigid bodies. My advice was to use restraints (soft constraints) together with rigid bodies, although, restraints on both bond distances and angles can be an alternate strategy. Brian