[GSAS-II] wrong intensities in calculated speactrum

[Monica Dapiaggi]

Did you check which origin of the cell you are using? 
Best
Monica

---
Monica Dapiaggi

> Il giorno 20 ott 2017, alle ore 14:47, Ivo Alxneit <ivo.alxneit at psi.ch> ha scritto:
> 
> Dear all
> 
> I am trying to fit my diamond standard. The pattern shows 111, 220, and
> 311. In the fitted pattern I see the 222 reflection (I100 about 2) that
> is forbidden and I100=0 for the allowed 220 peak. Data from the cif file
> attached.
> 
> my setup:
> 
> (gsas) alxneit at PC12348:$ gsas
> GSAS-II binary directory: /fast_home/alxneit/GSAS-II/bin
> 4 values read from config file /fast_home/alxneit/GSAS-II/config.py
> Python module versions loaded:
>  Python:      2.7.14
>  wx:          3.0.0.0
>  matplotlib:  2.0.2
>  numpy:       1.13.3
>  scipy:       0.19.1
>  OpenGL:      3.1.1a1
>  PIL.Image:   1.1.7
>  Platform:    linux2 64bit x86_64
> This is GSAS-II revision 3135
> 
> -- 
> Dr. Ivo Alxneit
> Catalysis for Energy Group
> Bioenergy and Catalysis Laboratory        phone: +41 56 310 4092
> Paul Scherrer Institute                     fax: +41 56 310 2688
> CH-5232 Villigen                      gnupg key: 0x515E30C7
> Switzerland
> https://www.psi.ch/ceg/
> <diamond.cif>
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