[QE-users] How can read constant velocity from input file when restart_mode= 'restart'

[Lu Hailin]

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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