9.12 ff2chi()

Description

Sum a set of FEFF paths to generate $\chi$(k). The paths must be defined by the path() command.

Input Program Variables

None.

Keywords/Values

Keyword	Variable	Default	Description
1path list			list of paths
group		feff	group name for created arrays
kmin		0.	kmin for output arrays
kmax		20.	kmax for output arrays
s02		1.	overall scale factor for $\chi$(k)
sigma2		0.	overall $\sigma^{2}_{}$ for $\chi$(k)
do_real		F	save real part of $\chi$(k)
do_phase		F	save phase-shift of $\chi$(k)
do_mag		F	save magnitude of $\chi$(k)
do_all		F	save all optional output

Output Program Variables

Arrays for k and $\chi$(k) will be written to $GROUP.k and $GROUP.chi.

Optional output arrays can be written for other parts of the complex $\tilde{\chi}$(k) according to the appropriate keyword: $GROUP.chi_real (do_real), $GROUP.chi_mag (do_mag), and $GROUP.chi_phase (do_phase).

Notes

Like feffit(), ff2chi() uses a list of paths as the default argument.

Examples

 
  Iff> ff2chi(1,2,4-9, do_phase)

See also

feffit()(Section 9.11), fftf()(Section 9.13), Chapter 7.