2006-08-09 14:22:43 UTC
Hi, I have got a problem using Xtal to work with neutron data.
I am running on Windows XP, version Xtal372-Win32-fix.2.zip
All the time I start the refinement, the program gives Failure in STARTX
SUBROUTINE SX20 Error 12.
STARTX error message ......
Scattering data is missing for atom type. Check symbol construction.
Actually, it simply cannot find the neutron scattering lengths for the elements independent on a way I define them (automatic determination from symbol and manual input in field number 10 do not work!).
CELCON tb 4.000 *10 0.738
CELCON mn 4.000 *10 -0.373
CELCON o 12.000 *10 0.5805
The problem seems to be related ONLY to neutron data as all example X-ray files are working without any problems. So, it cannot be related the environment variables. Changing any
working example X-ray input file to neutron mode produces this problem.
Any ideas?!