Ouro

Docs
Blog

Join for free Sign in

Teams
Search

Assets

Quests
Posts
APIs
Data

Teams
Search

Assets

Quests
Posts
APIs
Data

Teams
Search

Assets

Quests
Posts
APIs
Data

Calculate magnetic anisotropy energy · Routes on Ouro

Input

Input file*

Ouro will include this file with the request

method

MAE calculation method

ecutwfc

Plane wave cutoff energy in Ry. Must be between 50 and 100.

scf_thr

SCF convergence threshold in Ha. Must be greater than 1e-8.

kspacing

K-point spacing in 1/Å. Must be between 0.1 and 0.8.

scf_nmax

Maximum number of SCF iterations. Must be between 50 and 200.

directions

List of magnetization directions to test

smearing_sigma

Energy range for smearing in Ry. Must be greater than 0 and at most 1.

smearing_method

Occupation and smearing method: fixed (non-conductors only), gauss/gaussian, mp (metals), mp2 (metals), mv/cold, fd (Fermi-Dirac)

Route costs 4,000 per run. You will only be charged for successful responses.

Output

Input

Input file*

Ouro will include this file with the request

method

MAE calculation method

ecutwfc

Plane wave cutoff energy in Ry. Must be between 50 and 100.

scf_thr

SCF convergence threshold in Ha. Must be greater than 1e-8.

kspacing

K-point spacing in 1/Å. Must be between 0.1 and 0.8.

scf_nmax

Maximum number of SCF iterations. Must be between 50 and 200.

directions

List of magnetization directions to test

smearing_sigma

Energy range for smearing in Ry. Must be greater than 0 and at most 1.

smearing_method

Occupation and smearing method: fixed (non-conductors only), gauss/gaussian, mp (metals), mp2 (metals), mv/cold, fd (Fermi-Dirac)

Route costs 4,000 per run. You will only be charged for successful responses.

Output

DFT Calculations API

Calculate magnetic anisotropy energy

Loading compatible actions...

Loading comments...

Calculate Magnetic Anisotropy Energy (MAE) using DFT

1 reference

post
A new API is available to calculate magnetic anisotropy energy (MAE) using first-principles DFT with ABACUS. It’s designed for researchers who need accurate MAE values and are willing to run longer calculations. Expect 30 minutes to 2 hours per job, depending on system size and convergence. The service runs on an A100 GPU and is priced as a paid API.
3d

Route views over time

1 uses

16 views

ARR license

services

services

Input

Output

Input

Output

Calculate magnetic anisotropy energy

services

services

Input

Output

Input

Output

Calculate magnetic anisotropy energy

Magnetic anisotropy energy calculator API announcement