Hello, I wonder if we can use Quantum expreso to calculate magnetic anisotropy of a magnetic material.
@Ashli2024 Жыл бұрын
Hello, could you please let me know any specific sources for doing DFT on perovskite solar cells by Quantum Espresso?
@rijankarkee5719 Жыл бұрын
How to find parameters.out in newer version (V7.1)?
@youssefch6020 Жыл бұрын
Thank you sir, this was very helpful
@omarzayed3794 Жыл бұрын
Great job, thanks
@ammar2140 Жыл бұрын
excuse me, sir, so I'm doing research using qe burai, but when I run anything (optimize, scf, etc) the result is immediately goes green and it says 'fatal error in mpi_init_thread' in the LOG, I wonder why? , even though the placement of pw.x and mpi is correct. Thank You.
@auroradelugas4204 Жыл бұрын
delugas
@ayoubbenaddi4282 жыл бұрын
error opening xml data file plz help
@alljobzinpakistan50702 жыл бұрын
Hi I need a help from you
@Amarkumar-ep3mg2 жыл бұрын
Sir, does the convergance wrt to unit-cell size still required; if we calculate U using hp.x
@bezzaouiiman48482 жыл бұрын
thanks for this tutorials how to calculate Heisenberg exchange parameters in QE
@aniketsingh88062 жыл бұрын
Good One Man, Thanks for your contribution
@nehasingh-px7ru2 жыл бұрын
Hey can you help me with my assignments of quantum expresso i will pay you if you do
@haseebahmad35002 жыл бұрын
Hi neha! What kind of work do you require?
@Amarkumar-ep3mg2 жыл бұрын
Hi neha! Which kind of calculations you want to do.
@riseandshine48852 жыл бұрын
thank you
@ahmettahiri54243 жыл бұрын
Many thanks for your tutorials. I am curious to know what are the computer requirements for "Quantum Espresso". Is it possible to perform all sort of calculations with normal laptops or PC? For instance, if we wanted to perform a GGA:PBE for 512 atoms, is it performable with a laptop?
@Amarkumar-ep3mg2 жыл бұрын
With laptop 6-8 atoms max, depending upon calculation type.
@muhammadsherazkhan29033 жыл бұрын
please help me how to bring Fermi level to zero eV in band structure or DOS using GNUPLOT
@priyambadaaiswarya18313 жыл бұрын
For Transition metal why ibrav=0 ?
@adityachaudhury22082 жыл бұрын
it depends on the crystal structure i.e. whether it's cubic /trigonal /fcc/bcc/hexagonal etc.