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[sdpd] multiaxial preferred orientation
Dear all
I have some problems to refine the preferred orientation
from March-Dollase multiaxial option in fullprof.
In my case is for two directions:(1 0 -1) and (-1 -1 1)
The pcr file before refinament is:
! March-Dollase multi-axial model for preferred orientation (naxes)
2
! Pref-hkl MD-r Code(MD-r) Fraction Code(Fract.)
1.00 0.00 -1.00 1.0000 31.000 1.0000 41.000
-1.00 -1.00 1.00 1.0000 51.000 0.0000 0.000
Througt the refinament it display a message saying "Singular matrix".
In the out file appear the following indication:
--------------------------------------------------------------
SYMBOLIC NAMES AND INITIAL VALUES OF PARAMETERS TO BE VARIED:
--------------------------------------------------------------
-> Parameter number 1 -> Symbolic Name: PO_MDol_1_ph1_pat1 1.0000000
-> Parameter number 2 -> Symbolic Name: PO_Frac_1_ph1_pat1 1.0000000
-> Parameter number 3 -> Symbolic Name: PO_MDol_2_ph1_pat1 1.0000000
=> Optimizations for routine tasks applied:
=> Calculation mode for patter#: 1 CM_PSEUDO_VOIGT
==> Singular matrix!!, problem with parameter no.: 3 ->PO_MDol_2_ph1_pat1
but i can not find what's the problem.
Could anybody help me?
Thank you very much.
[Non-text portions of this message have been removed]
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