[Pw_forum] Plotting phonon dispersion

[elchatz at auth.gr]

Ok, I am confused again.

I used ibrav=0 in the scf run that eventually gave me the error in matdyn.x.

I am running it again. This time I've used,

-----------------
ibrav = 6,
celldm(1) = [..]
celldm(3) = [..]
------------------

in the scf. It's good to know if this is more possible to work as ph.x  
takes about 4 days.


Eleni



Quoting Lorenzo Paulatto <paulatz at gmail.com>:

> On 02/19/2018 03:14 PM, Saif Ullah wrote:
>> Dear Eleni,
>>
>> Did you use ibrav=0? If so, then you need to use q_in_band_form=.false.
>> q_in_cryst_coord=.true.
>>
> Neither of these two bits of advice is correct:
>
> 1. q_in_band_form can be used with ibrav=0 as usual, and works just as
> well as long as you specify the point coordinates
> 2. there is no specific reason to use crystal coordinates with ibrav=0,
> you can, as usual, but by no mean you "need to"
>
>
> kind regards
>
>
> --
> Lorenzo Paulatto - Paris
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-- 
Dr. Eleni Chatzikyriakou
Computational Physics lab
Aristotle University of Thessaloniki
elchatz at auth.gr - tel:+30 2310 998109