[Pw_forum] problem with vc-relax

Khalid Ibne Masood Khalid kimu206 at gmail.com
Tue Jun 24 15:47:07 CEST 2014


Dear Quantum Espresso users,
I am having trouble with Quantum Espresso v 5.1. regarding variable
cell optimization. When I had used Quantum Espresso v 5.0.2 it created
no problem but with the same input file QE v 5.1 terminates saying:
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine stop_exx (1):
     dft is not hybrid, wrong call
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I have attached both input and output file.

Please help me overcome this problem.

Thanks in advance
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