[Pw_forum] Molecular Dynamics

[fadwa fad]

Dear all,

1- I saw in tutorial of Molecular Dynamics that I should change the ionic
masses to accelerate the minimization, I don't understand  why? and why
it value is decrease? I know that the ionic masses identify the type of
atom.

example of Benzene Molecule :

C 12.0d0 c_blyp_gia.pp
H 1.00d0 h.ps


C 2.0d0 c_blyp_gia.pp
H 2.00d0 h.ps

2- After the running How can I know that the system is stable or not?

 I am eagerly hoping someone can help me.

 Thank you.

Fadwa
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