Dear
First do scf calculations at different lattice constants around the
equilibrium and write the lattice constants and the corresponding energies
in. dat format. Then run the code ev.x
$espresso_directory/bin/ev.x
With regards,
Shiferaw G.
On Tue, 2 Jun 2020, 4:36 pm Inna Nangoi, wrote:
Dear,
In themo_pw.x input
the range of temp tmin=1 tmax=800 , works by default.
but, if you want to add temp. in the input file use
*ntemp =* (by changing its number)
Shiferaw,
On Wed, Feb 19, 2020 at 7:53 AM Pooja Vyas
wrote:
> Dear users,
> I want to calculate phonon dos for different
When I calculate the elastic constants for supercells of my system using
thermo_pw.x. I found the compatibility problem of ibrav. My system is
tetragonal
Please how can I solve the issue and continue my calculations?
Thank you in advance for any assistance
The input / out files of calculations are
