john201004
Hi
Anybody have a macro which can removes " load hkl_m_d_th2 I{...} " section from the inp file before do anything else?
Sincerely
john201004
During Pawley if I remove load hkl_m_d_th2 I{...} I got different results.
alancoelho
If there are no hkl lines then the hkl's used will be outputted to the OUT file inside the " load hkl_m_d_th2 I{...} " construct.
If there are hkl lines then the hkls already defined in the INP file are used.
If you delete "load hkl_m_d_th2 I{...}" then yes the intensities could change dependening on starting values of other parameters.