[Pw_forum] about vc-relax

[Bipul Rakshit]

Hello Pwscf users,
I am using vc-relax calculation. At the end of the output I am getting the
new, atomic positions and the cell parameters. But there is not much change
in the atomic positions while the cell parameters changed, that means the
angle of the crystal is changing. So my question is what parameters I use,
so that I able to vary the atomic-positions and keep the angle of the
crystal fix?

Any advice is greatly helpful for my work.
regards

-- 
Bipul Rakshit
PhD Student,
Barkatullah University,
Bhopal 462026,
MP, India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090107/bf345d29/attachment.html>