Dear QE users, I checked entire manual and keywords list of pw.x, there is nowhere information about manual entering of atomic velocities in the input file, If necessary sometimes. Moreover, I have seen dynamics_module.f90 file, it is shown that velocities are initialized from Maxwell-Boltzmann distribution or random number distribution or zero velocities. So, please make me understand, how to give manually velocities at a particular time step. In the input file, I am giving atomic coordinates in the angstrom units. If there is an option to give velocities in the input file, please tell me keywords information and what type of units I have to give for velocities (e.g. angstroms/rydberg, Bohrs/rydberg).
In addition, in the output file, there is only updated atomic coordinates and no updated velocities at each time step. Can you please give a comment of the bit of code along with where to insert those bit of code in the dynamics_module.f90 file or wherever in the code, by that I can improve to add or doing something on the code to print updated velocities at each time step. Please, any suggestions are necessary to me. I don't have much command on the code, at-least I can try my level best. I anticipated thanks for suitable answers from well-wishers. venkataramana PhD student IIT Bombay
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