[Pw_forum] QHA example (Elias Albert)

[Bramha Pandey]

Dear Zafar,
You are right.The negative frequecy is take care in QHA by Ghost_DOS.x i
think.


On Thu, May 2, 2013 at 4:48 PM, zafar rasheed <zafartariq2003 at yahoo.com>wrote:

> 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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-- 
Thanks and Regards
Bramha Prasad Pandey
Indian School of Mines(ISM)
Dhanbad, INDIA.
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