[Pw_forum] epsilon calculation in the case of a soft mode

[Mostafa Youssef]

Dear all,


I'm studying an oxide with an optical mode frequency that is imaginary before applying a.s.r. and becomes real once a.s.r is applied. In the same input file for dynmat.x I requested computing epsilon. But it seems that epsilon is calculated based on frequencies (w2) before applying a.s.r.

Is there a way to enforce epsilon calculations based on frequencies after a.s.r application ?


I'm using Q.E.5.2.0 but I believe recent versions do not have updates in this part of the code.



Thank you,
Mostafa Youssef
MIT
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