GSAS: lessen the tedium: batch file control of the refinement :(EXPEDT Example: refine heavy metal framework atoms)

• File titled ref_fmh.txt

k ! don't make a backup of the file

l ! least squares

a ! atom options

v 1:324 -x ! get rid of any X parameters refining

q ! quit atom list

v 1:324 -u ! get rid of any UISO parameters refining

q ! quit atom list

v 1:324 -f ! get rid of any FRAC parameters refining

q ! quit atom list

v 29:108 x ! set framework M sites refine on coords

q ! quit atom list

x

x

x

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