[Pw_forum] BO molecular dynamics

[Mansoureh Pashangpour]

Deal PWscf users

I want to do minimization for Born-Oppenhiemer  molecular dynamics.
which of these way is correct?

 dt =6.0d0,
.
.
.
 &electrons
   emass = 500.d0,
   emass_cutoff = 2.25d0,
   orthogonalization = 'ortho',
   electron_dynamics = 'damp',
 /
 &ions
 ion_dynamics = 'none',
/
---------------------------------
dt =20.0d0,
.
.
.
 &electrons
   emass = 500.d0,
   emass_cutoff = 2.25d0,
   orthogonalization = 'ortho',
   electron_dynamics = 'cg',
 /
 &ions
 ion_dynamics = 'none',
/
----------------------------------
I look forward to hearing from you.
Thanks
Mansoureh
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