You will get Server Service for computational chemistry using Quantum Espresso
Project details
We offer computational services, especially for chemistry scholars who finds it difficult to find resources. Provides dedicated computational setup with 24vCPU and 56GB of Ram, dedicated for an individual user.
Purpose
PersonalIndustry
Education, Hardware & ElectronicsLanguage
EnglishWhat's included $90
These options are included with the project scope.
$90
- Delivery Time 5 days
- Summary
Optional add-ons
You can add these on the next page.
Additional Citation
(+ 2 Days)
+$30About Nikhil
Embedded C, Arduino, Arm, Linux drivers, BSP, Quantum Espresso
Muvattupuzha, India - 2:52 pm local time
Experience on Qcom, Ambarella platforms
Provide computational resources: Quantum Espresso
Steps for completing your project
After purchasing the project, send requirements so Nikhil can start the project.
Delivery time starts when Nikhil receives requirements from you.
Nikhil works on your project following the steps below.
Revisions may occur after the delivery date.
Step 1: Plane-wave cutoff convergence (ecutwfc)
a. Perform SCF calculations with increasing cutoff energies b. Monitor total energy convergence c. Choose cutoff where energy change is within tolerance (e.g. ≤ 1 meV/atom) ✔ Output: Converged ecutwfc
Step 2: k-point convergence
a. Fix the converged cutoff energy b. Run SCF calculations with increasing k-point meshes c. Check convergence of total energy / pressure ✔ Output: Converged k-point grid