[Pw_forum] vc-relax after the cp.x run results validation

[Bramha Pandey]

Dear all developers and Users,
I was doing Car-Parrinello Molecular Dynamics for the optimization of a
structure. For this purpose i compute the ground state wavefunction using
cp.x which gives the convergence achieved for system relaxation keeping
'ions' and 'cell' sections with no dynamics.
Then i put the calculation field 'vc-relax' instead of 'vc-cp' because i
wanted to calculate the optimized structure keeping 'ions' and 'cell'
sections with 'damp' and 'sd' dynamics. i am curious to know whether this
procedure which i was opted is right or not?
As cp.x(vc-relax) has a one k-points(Gamma) so results obtained for cell
parameters of the optimized structure is reliable as obtained from pw.x
(vc-relax) or not?
I am looking forward for your kind attention and help regarding this issue.

-- 
Thanks and Regards
Bramha Prasad Pandey
Indian School of Mines(ISM)
Dhanbad, INDIA
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