[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[sdpd] MPROF: BaGaF5: anisotropic variable P-V



Dear All,

I wish to know how to set the initial value of halfwidth parameters when
refine the peak as an anisotropic variable pseudo-Voigt one (e.g. the BaGaF5
example in MPROF package)

I wish also to know why constraints
U13=0.23U11(U22,U33)
pV13=0.23pV11(pV22,pV33)
should be used?

Thank you very much!

Sincerely Yours,

Xia Changtai
Universidad de Chile


-------------------------- eGroups Sponsor -------------------------~-~>
Get FREE long-distance phone calls on Tellme!
Dial 1-800-555-TELL, say "Phone Booth"
http://click.egroups.com/1/9816/14/_/40740/_/971985538/
---------------------------------------------------------------------_->