Dear Paolo Giannozzi ,
I want to apply a constant velocity along the y direction on the upper atoms
through the whole progress using cp.x in Quantum Espresso 6.1. version.
The Card: ATOMIC_VELOCITIES { a.u },in the the manual ,which shows that
ion_velocities= 'from_input' : restart the simulation with atomic velocities
read from standard input .
BEWARE: works only if restart_mode='from_scratch', tested only with
electrons_dynamics='cg'.
The question is that if I read the input file with the card
restart_mode='from_scratch',the constant velocity in the input file can be
applyed ,while the information about electrons and ions after having been
minimized and displaced from their equilibrium positions may be ignored. if I
read the input file with the card restart_mode='restart',the constant velocity
in the input file cannot be applyed.
If I have ignored something during the progress ?
Any help would be appreciated.
Thank you!
Best regards,
------
LU Hailin, Graduate Student
State Key Laboratory of Mechanical Transmission, Chongqing University
Chongqing 400044, China
Tel: (+86) 18362360286_______________________________________________
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