Dear all,
How can I apply a vertical force to the atoms to model an applied pressure
using Quantum Espresso 6.1. version on Linux, the value of which was varied
from 500 MPa to 5 GPa .
I find that the code '"ATOMIC_FORCES"may make it,but the Ha/a.u. units is not
MPa or GPa.
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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