Testimonials of MaX School on QE
2:09
Testimonials of MaX School on QE
2 жыл бұрын
MaX School on QE: Charge densities and potentials - Paolo GIANNOZZI
1:42:25
MaX School on QE: Charge densities and potentials - Paolo GIANNOZZI
2 жыл бұрын
MaX School on QE: Closing remarks - E. Molinari
16:10
MaX School on QE: Closing remarks - E. Molinari
2 жыл бұрын
QE MaX School: Finding happiness and saving the world with electronic structure calculations Spaldin
1:10:40
QE MaX School: Finding happiness and saving the world with electronic structure calculations Spaldin
2 жыл бұрын
MaX School on QE: Hands on AiiDA
3:13:21
MaX School on QE: Hands on AiiDA
2 жыл бұрын
MaX School on QE: High throughput computing with the AiiDA platform - BERCX
36:00
MaX School on QE: High throughput computing with the AiiDA platform - BERCX
2 жыл бұрын
MaX School on QE: Hands on QE on HPC and GPU systems
2:25:34
MaX School on QE: Hands on QE on HPC and GPU systems
2 жыл бұрын
MaX School on QE: QE on HPC and GPU systems - Bonfa
1:44:38
MaX School on QE: QE on HPC and GPU systems - Bonfa
2 жыл бұрын
MaX School on QE: Computational Studies of Interface in Photonvaltaic Device - GONG
1:05:42
MaX School on QE: Computational Studies of Interface in Photonvaltaic Device - GONG
2 жыл бұрын
MaX School on QE: Hands on AIMD CPMD
1:53:09
MaX School on QE: Hands on AIMD CPMD
2 жыл бұрын
MaX School on QE: AIMD CPMD - S. Scandolo
1:36:43
MaX School on QE: AIMD CPMD - S. Scandolo
2 жыл бұрын
MaX School on QE: Hands on Introduction to Magnetism
2:34:31
MaX School on QE: Hands on Introduction to Magnetism
2 жыл бұрын
MaX School on QE: Introduction to Magnetism - A. Stroppa
1:53:54
MaX School on QE: Introduction to Magnetism - A. Stroppa
2 жыл бұрын
QE School: Phonons & second order structural phase transitions in anharmonic quantum crystals- Mauri
1:33:03
QE School: Phonons & second order structural phase transitions in anharmonic quantum crystals- Mauri
2 жыл бұрын
MaX School on QE: Hands on TDDFPT
1:48:44
MaX School on QE: Hands on TDDFPT
2 жыл бұрын
MaX School on QE: Time dependent density functional perturbation theory - TIMROV
1:45:06
MaX School on QE: Time dependent density functional perturbation theory - TIMROV
2 жыл бұрын
MaX School on QE: Ab initio Spinorbitronics BLUGEL
1:15:35
MaX School on QE: Ab initio Spinorbitronics BLUGEL
2 жыл бұрын
MaX School on QE: Hand on DFPT
1:59:29
MaX School on QE: Hand on DFPT
2 жыл бұрын
MaX School on QE: Density functional perturbation theory phonons - Stefano BARONI
1:36:18
MaX School on QE: Density functional perturbation theory phonons - Stefano BARONI
2 жыл бұрын
MaX School on QE: Hands on Functionals
2:01:37
MaX School on QE: Hands on Functionals
2 жыл бұрын
MaX School on QE: Advanced functionals - Stefano DeGironcoli
1:47:56
MaX School on QE: Advanced functionals - Stefano DeGironcoli
2 жыл бұрын
MaX School on QE: Forces stresses geometry optimisation - DELUGAS and KOKALJ
1:40:12
MaX School on QE: Forces stresses geometry optimisation - DELUGAS and KOKALJ
2 жыл бұрын
MaX School on QE: Hands on SCF calculations post processing
1:57:05
MaX School on QE: Hands on SCF calculations post processing
2 жыл бұрын
MaX School on QE: Charge densities and potentials - Paolo GIANNOZZI
1:42:25
MaX School on QE: Charge densities and potentials - Paolo GIANNOZZI
2 жыл бұрын
MaX School on QE - Machine learning based abinitio molecular dynamics - Roberto CAR
1:30:40
MaX School on QE - Machine learning based abinitio molecular dynamics - Roberto CAR
2 жыл бұрын
MaX School on QE: Hands on How to compile QE
1:17:48
MaX School on QE: Hands on How to compile QE
2 жыл бұрын
MaX School on QE: Quantum ESPRESSO overview and basic functionalities - GEBAUER
1:39:54
MaX School on QE: Quantum ESPRESSO overview and basic functionalities - GEBAUER
2 жыл бұрын
MaX School on QE: Opening remarks - BARONI and GEBAUER
11:40
MaX School on QE: Opening remarks - BARONI and GEBAUER
2 жыл бұрын
The MaX School on Advanced Materials and Molecular Modelling with Quantum ESPRESSO
2:09
The MaX School on Advanced Materials and Molecular Modelling with Quantum ESPRESSO
3 жыл бұрын
Пікірлер
@nguyentang1
@nguyentang1 10 ай бұрын
Hello, I wonder if we can use Quantum expreso to calculate magnetic anisotropy of a magnetic material.
@Ashli2024
@Ashli2024 Жыл бұрын
Hello, could you please let me know any specific sources for doing DFT on perovskite solar cells by Quantum Espresso?
@rijankarkee5719
@rijankarkee5719 Жыл бұрын
How to find parameters.out in newer version (V7.1)?
@youssefch6020
@youssefch6020 Жыл бұрын
Thank you sir, this was very helpful
@omarzayed3794
@omarzayed3794 Жыл бұрын
Great job, thanks
@ammar2140
@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
@auroradelugas4204 Жыл бұрын
delugas
@ayoubbenaddi428
@ayoubbenaddi428 2 жыл бұрын
error opening xml data file plz help
@alljobzinpakistan5070
@alljobzinpakistan5070 2 жыл бұрын
Hi I need a help from you
@Amarkumar-ep3mg
@Amarkumar-ep3mg 2 жыл бұрын
Sir, does the convergance wrt to unit-cell size still required; if we calculate U using hp.x
@bezzaouiiman4848
@bezzaouiiman4848 2 жыл бұрын
thanks for this tutorials how to calculate Heisenberg exchange parameters in QE
@aniketsingh8806
@aniketsingh8806 2 жыл бұрын
Good One Man, Thanks for your contribution
@nehasingh-px7ru
@nehasingh-px7ru 2 жыл бұрын
Hey can you help me with my assignments of quantum expresso i will pay you if you do
@haseebahmad3500
@haseebahmad3500 2 жыл бұрын
Hi neha! What kind of work do you require?
@Amarkumar-ep3mg
@Amarkumar-ep3mg 2 жыл бұрын
Hi neha! Which kind of calculations you want to do.
@riseandshine4885
@riseandshine4885 2 жыл бұрын
thank you
@ahmettahiri5424
@ahmettahiri5424 3 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-ep3mg
@Amarkumar-ep3mg 2 жыл бұрын
With laptop 6-8 atoms max, depending upon calculation type.
@muhammadsherazkhan2903
@muhammadsherazkhan2903 3 жыл бұрын
please help me how to bring Fermi level to zero eV in band structure or DOS using GNUPLOT
@priyambadaaiswarya1831
@priyambadaaiswarya1831 3 жыл бұрын
For Transition metal why ibrav=0 ?
@adityachaudhury2208
@adityachaudhury2208 2 жыл бұрын
it depends on the crystal structure i.e. whether it's cubic /trigonal /fcc/bcc/hexagonal etc.
@abdallabakheet9103
@abdallabakheet9103 3 жыл бұрын
It is very interneting.
@lokithor83
@lokithor83 7 жыл бұрын
Json?