From marcus.mendenhall at nist.gov Fri Jan 15 16:48:26 2016 From: marcus.mendenhall at nist.gov (Mendenhall, Marcus) Date: Fri, 15 Jan 2016 15:48:26 +0000 Subject: [mcxtrace-users] improved perfect crystal model In-Reply-To: <561FD6BA.2090504@fysik.dtu.dk> References: <5612C3B0.70606@fysik.dtu.dk> <597ED54B-766A-4159-BE3B-FD612A75120C@nist.gov> <561FD6BA.2090504@fysik.dtu.dk> Message-ID: Erik (& the list): I found a minor implementation issue with the NIST_Perfect_Crystal.comp and NIST_bent_crystal.comp components I had previously submitted. I had a factor of 1/sqrt(2) in the computation of the temperature factor M from the Debye-Waller B coefficient; it should have been 2/3 instead. This was completely invisible in the results at room temperature, since this isn' correction, and 1/sqrt(2) is very close to 2/3. Here are the updated components. Marcus Mendenhall Materials Measurement Science Division National Institute of Standards and Technology 100 Bureau Dr. stop 8370 (217/B115) Gaithersburg MD 20899 USA phone: +1-301-975-8631 -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: NIST_bent_crystal.comp Type: application/octet-stream Size: 23253 bytes Desc: NIST_bent_crystal.comp URL: -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: NIST_Perfect_Crystal.comp Type: application/octet-stream Size: 18504 bytes Desc: NIST_Perfect_Crystal.comp URL: -------------- next part -------------- An HTML attachment was scrubbed... URL: From erkn at fysik.dtu.dk Tue Feb 9 10:34:28 2016 From: erkn at fysik.dtu.dk (Erik B Knudsen) Date: Tue, 9 Feb 2016 10:34:28 +0100 Subject: [mcxtrace-users] bug in PowderN Message-ID: <56B9B2A4.2080404@fysik.dtu.dk> Dear all, As reported by people at UCL and Cranfield U simultaneously - there is a bug in PowderN, which results in a signifcant underestimation of absorption in samples. This has now been fixed in the development tree - either wait for the release of McXtrce 1.3 or download the fixed component at: https://github.com/McStasMcXtrace/McCode/blob/master/mcxtrace-comps/samples/PowderN.comp happy simulating Erik -- Erik Bergb?ck Knudsen, Research Engineer | DTU | morituri NEXMAP, DTU Fysik, DK-2800 Kgs. Lyngby, Denmark |<>-<>| te phone: (+45) 2132 6655 |<>-<>| salutant