[Pw_forum] NaN values in QHA.out file

Peram sreenivasa reddy peramsreenivas at gmail.com
Mon Nov 4 04:57:43 CET 2013


Please check is there any imaginary frequencies.


On Mon, Nov 4, 2013 at 12:24 AM, henry odhiambo <henod2001 at yahoo.com> wrote:

> Hello all,
>
> The QHA calculation seems to be running well but I cannot get values for
> F_vib and entropy. Instead I get 'NAN'.
>
> What would be the cause?
>
> Please, help.
>
> Henry Odhiambo Otunga
> Department of Physics and Materials Science
> Maseno University
> Kenya
>
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> Pw_forum at pwscf.org
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>



-- 
*P.V.SREENIVASA REDDY*

*Research Scholar Department of Physics *
*Indian Institute of Technology*
*Hyderabad*
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