<div dir="ltr">Deal PWscf users<br><br>I want to do minimization for Born-Oppenhiemer  molecular dynamics.<br>which of these way is correct?<br><br> dt =6.0d0,<br>.<br>.<br>.<br> &electrons<br>   emass = 500.d0,<br>   emass_cutoff = 2.25d0,<br>
   orthogonalization = 'ortho',<br>   electron_dynamics = 'damp',<br> /<br> &ions<br> ion_dynamics = 'none',<br>/<br>---------------------------------<br>dt =20.0d0,<br>.<br>
.<br>
.<br>
 &electrons<br>
   emass = 500.d0,<br>
   emass_cutoff = 2.25d0,<br>
   orthogonalization = 'ortho',<br>
   electron_dynamics = 'cg',<br>
 /<br>
 &ions<br>
 ion_dynamics = 'none',<br>
/<br>----------------------------------<br>I look forward to hearing from you.<br>Thanks<br>Mansoureh<br></div>