I will calculate, plot physical properties by wien2k

Algeria

I speak English, Arabic, French

2 orders completed

Professional filmmaker

Houssem Bourahla 25 old Content Creator, Freelance Editor since 2012 10+ years experience
About this Gig

I specialize in performing first-principles calculations based on Density Functional Theory (DFT) using the FP-LAPW method within WIEN2k. I provide complete analysis and high-quality plots for the following properties:


  • Structural Properties
  • Electronic Properties (Band Structure, DOS.)
  • Optical Properties (Dielectric function, absorption, etc.)
  • Thermoelectric Properties (Seebeck coefficient, conductivity, etc.)
  • Thermodynamic Properties (Debye temperature, specific heat, etc.)


You have two options:

  1. Provide the compound name and its .struct file or necessary structural information, and I will carry out the full calculation and deliver the results. offer ( BASIC or STANDARD )
  2. I can suggest a compound for you and perform the simulations, sending you detailed results and plots. Offer (PREMIUM)


With my deep experience in WIEN2k, I ensure precise results, clean data, and professional plots ready for presentations or publication.


Deliverables include:

Calculation results (raw data and processed)

Professional graphs and plots

Summary of findings in a clear report (on request)


Feel free to contact me before placing an order. Lets bring your material simulation project to life with pr

Technology:

Python

Google Sheets

Instant Data Scraper

Excel

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