Dear Quantum Espresso users,
Earlier I had knocked you about "Error in routine stop_exx (1):
dft is not hybrid, wrong call" problem. Well the problem was quite
solved. Whenever I used pbe pseudo potentials, the optimization converged.
But if I use pz pseudo potentials, the simulation
On Sun, 2014-06-29 at 10:56 +0600, Khalid Ibne Masood Khalid wrote:
> Not enough space allocated for radial FFT: try restarting with a
> larger cell_factor."
restart from the last coordinates and cell (they are reprinted in a
format that can be directly used in input)
> I would like to
