[QE-users] How to apply force to the atoms using cp.x

[Lu Hailin]

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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