Here's my inp file for a Silicon std - this used to work but like all my inp files doesn't anymore - I don't think the issue is with anything in the file or it would never have worked to begin with.
`
r_wp 16.3065596 r_exp 10.947665 r_p 11.8137408 r_wp_dash 18.7662176 r_p_dash 14.8287291 r_exp_dash 12.598995 weighted_Durbin_Watson 1.23008445 gof 1.48950115
chi2_convergence_criteria 0.001
iters 0
do_errors
xdd Si_Std_28.02.23.xy
x_calculation_step = Yobs_dx_at(Xo); convolution_step 4
bkg @ 23.7172095` -19.0551474` 14.1028946` -7.37602048` 3.10967774` -1.54147731`
Simple_Axial_Model(@, 0.694684112`)
LP_Factor(!th2_monochromator, 27.26)
lam
ymin_on_ymax 0.0001
la 1 lo @ 1.5403320` lh 0.4
Zero_Error(zero, 0.025646754`)
Specimen_Displacement(!disp,-0.000930739737_0.000989535195)
str
phase_name "Silicon"
a 5.4311946
b 5.4311946
c 5.4311946
al 90
be 90
ga 90
volume 160.209
space_group Fd-3m
site Si1 x 0 y 0 z 0 occ Si 1 beq @ 0.73194`
scale @ 0.00262469361`
r_bragg 3.9633135
TCHZ_Peak_Type(pku,-0.00243494799`, pkv, 0.000574130893`, pkw, -0.00236711729`, !pkz, 7.34172264e-07_0.0595967289, pkx, 0.0263910666`, pky, 0.00242196777`)
Phase_Density_g_on_cm3( 2.32881746)`