User Data: XPD Pattern

Calculate a powder diffraction pattern

Enter the crystal data of your stucture in the fields below and then press the submit button.

Warning: no checking is performed. Please make sure that the data entered are sensible

	Material name
	Composition

	Atomic coordinates:	Atom name	Form factor	x	y	z	PP	B(iso)

Input Profile Parameters

Peak shape
	Pseudo-Voigt: (1-n)Gaussian + n Lorentzian
	FWHM = sqrt (U + V tan θ + W tan²θ)
	Mixing parameter (n):	%
	Peak range:	FWHM
	Peak width:
	set UVW at:	U = V = W =
	Calculate UVW such that	FWHM = at °2θ
		FWHM = at °2θ
		FWHM = at °2θ

Select Output

List hkl and intensity

List powder pattern

plot powder pattern