Dear Sohail,
I think the boolean value should not be '.true.' but only .true.
Best regards,
Martin Matas
University of West Bohemia
Czech Republic
On Sat, 5 Dec 2020, 12:59 Sohail Ahmad via users,
wrote:
>
> > Dear QEusers,
> > I am using QE 6.5 and got dispersion curve but it gives error in
So generally the usage of input files generated by Material Cloud and BURAI GUI
should be avoided,
because they do not give the correct atom number and Bravais lattice and leed
to longer computation times (not significant in my case, critical for more
complex calculations).
The reason is s
Thank you for the answer ...
To be 100% sure I had tested on diamond the computational time (all parameters
set identical).
1) Material cloud generated file based on ibrav = 0 definition (BURAI generates
the same)
scf time 22.11 sec
2) The same file but diamond was described by space group
