With Exabyte.io, you can easily create a model that combines multiple elements, and you can also submit jobs at once.
With Exabyte.io, you can easily create a model that combines multiple elements, and you can also submit jobs at once. This time, we will create 10 models (CaZrO 3 , CaHfO 3 , CaSnO 3 , CaTiO 3 , CaGeO 3 , SrZrO 3 , SrHfO 3 , SrSnO 3 , SrTiO 3 , SrGeO 3 ) and calculate the energy.
To create a model that combines multiple elements, select "Combinatorial set" on the model creation screen. On the “Generate Combinatorial set” screen, set the combination of (Ca, Sr) – (Zr, Hf, Sn, Ti, Ge) – O 3 as shown in Fig. 2.
This will generate 10 models at once. You can save these models and use them in your calculations.
You can create 10 jobs at once by checking the 10 generated models and pressing the “Create Job” button.
You can set up similar jobs for each of the 10 models.
You can submit jobs at once by checking all jobs and pressing "Run".
Original Source from: https://ctc-mi-solution.com/複数元素からなる組合せを考慮した計算/
