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

Lu Hailin 415005271 at qq.com
Thu Jan 17 12:32:24 CET 2019

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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