[Pw_forum] QHA example (Elias Albert)

[zafar rasheed]

Dear Elias and  Bramha Pandey

NaN in *.QHA.out file appears due to some negative frequency.
Check your frequency file created in QHA run_me process. If negative frequency is created then it mean that you have to run your phonon file with a change in 
tr2_ph=1.0d-10 to tr2_ph=1.0d-16 or any other negative number greater than 10.
Hope that by this change negative frequency will not appear and you will not get NaN message.

Muhammad Zafar

PhD Scholar

Department of Physics

The Islamia University of Bahawalpur,Pakistan
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