I will do dft calculations with quantum espresso for doped tio2 band structure dos
Student
About this Gig
Are you stuck with Quantum ESPRESSO errors, convergence issues, or need publication-ready plots for your thesis?
I will do DFT calculations using Quantum ESPRESSO for your materials science research. Specialized in TiO2, doped TiO2 (C, N, S, Fe), ZnO, Perovskites.
**WHAT YOU GET:**
SCF, Relax, vc-relax calculations
Band Structure calculation + high-quality plot
DOS & PDOS calculation + plot
All input (.in) and output (.out) files
Pseudopotential guidance
Convergence error fix
**WHY ME?**
- MPhil Physics - DFT specialist
- I show proof: output files with 8+ hours calculation logs, no fake data
- Fast delivery & 100% original calculations, not copied
- Perfect for BSc, MSc, MPhil, PhD thesis
**SOFTWARE:** Quantum ESPRESSO (QE), XCrySDen, VESTA, Origin/Gnuplot
**Please contact me before ordering to discuss your structure, doping %, and k-points.**
**Packages:**
Basic - Single SCF ($15)
Standard - Band + DOS ($40) - BEST SELLER
Premium - Complete Project ($90)
Let's make your thesis successful!
FAQ
What do you need to start?
Crystal structure (CIF or lattice parameters), doping element and %, and what you need (band structure, DOS, etc.)
How long does calculation take?
Real DFT takes 5-20 hours. I will share output log file as proof of real calculation, not fake data. Standard delivery 2-3 days.

