[Wien] Doubts regarding the volume optimization of a triclinic cell

[Anupriya Nyayban]

Dear users and experts,

I have a triclinic structure (P1 space group) with lattice parameters
a=18.508, b=39.835, c=40.199 Bohr; α = 119.701 ◦ , β = 103.309 ◦ , γ = 90.0
◦.  I have the following doubts
1) The volume obtained with these lattice parameters as well angles (with
the formula for triclinic cell) is not the same as the volume (24823.466
Bohr^3) found in the scf file (VOL).
2) The mailing list suggests volume optimization by a) varying a, b, c
while α, β, γ are constant; b) varying α, β, γ with fixed a, b, c. I have
done volume optimization by varying volume with constant a:b:c. But I am
not able to find the suitable switch for the case b) in the optimize.job
script.
Your valuable suggestion is highly appreciated!!

Thank you!!
-- 
With regards
Anupriya Nyayban
Ph.D. Scholar
Department of Physics
NIT Silchar
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