[Pw_forum] fixing the angle.
Bipul Rakshit
bipulrr at gmail.com
Mon Nov 2 09:15:06 CET 2009
Dear PwSCF users,
I am want to do calculation of SiO2.
What I want is to optimise the structure, using vc-relax. Beside I also want
that, the angle should not change between the atoms and vc-relax give me an
optimised structure.
So is it possible? If so then what i have to modify in my input file? Means
what additional string I have to add.
I am sending my input file for vc-relax.
thanks
--
Bipul Rakshit
Research Fellow,
S N Bose Centre for Basic Sciences,
Salt Lake,
Kolkata 700 098
India
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