On Fri, 04 Mar 2005 15:28:48 GMT, [EMAIL PROTECTED] wrote: >Dear Crystallographers, >I have a problem with the refinement of a structure in which >both sharp and broadened peaks appear in the neutron powder >diffraction profile. The broadening of low intensity peaks >is probably due to the existence of a supestructure. >To my knowledge in GSAS it's not possible to perform the >structural refinement of the same phase with two kinds of >profile model functions, one for sharp peaks and the other >for broadened peaks (I already saw that the function n.4 by >Stephens doesn't match my case). >Does anybody can suggest me some other softwares (possibly >free) to solve my problem? Dear Marco, BGMN fits your problem. Using its structure description language, you may set arbitrary hkl-dependencies to the peak widths. Since January, an academic price for BGMN/BGMNwin is available. See: www.bgmn.de
Regards Joerg Bergmann, Dresden *** This EComStation system uptime is 2 days 22 hours ***
