Dear Mr. Lobanov,
I have run EXPEDT and then reached upto the "fix specific
reciprocal metric tensor elemnt" as suggested by you. But the direct lattice
parameters and angles are coupled to the expressions of this metric tensor
elements. So, I can't understand what to fix among them such that i can fix
only the angles and make only the lattice parameters free. Thanking you,
With regards,
Prasun
----- Original Message -----
From: "Maxim V. Lobanov" <m_loba...@huntsman-nmg.com>
Date: Monday, September 14, 2009 6:27 pm
Subject: RE: refining the structural parameters selectively
> Of course you can.
> There is an option "fix specific reciprocal metric tensor
> elements" - that's what you need.
> It is located in "least-squares refinement set-up/overall
> parameters/lattice parameters" in GSAS menu.
>
> It seems that it is not accessible via EXPGUI interface.
>
> Sincerely,
> Maxim.
>
>
>
> -----Original Message-----
> From: prasu...@veccal.ernet.in [prasu...@veccal.ernet.in]
> Sent: Monday, September 14, 2009 4:45 PM
> To: Rietveld Method; Robert Von Dreele (vondreel)
> Subject: refining the structural parameters selectively
>
> Dear all,
> Using triclinic structure(P1) in GSAS, how can i refine
> the lattice parameters only and make the angles fixed? In the
> phase tab, i am getting only the refine cell option, which refines
> a,b,c,alpha,beta,gamma alltogether. Is there any technique to
> refine only one or a fiew of them selectively? Thanking you,
>
> With regards,
> Prasun Sharma Chowdhury
> SRF, VECC
> Kolkata - 700064
> West Bengal
> India
>
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