Blog Archive

Check out all blog posts in my blog archive. Click on a headline to read the teaser.

Gaussian Files
Gaussian Example
Using FCClasses3
Questaal Tutorials
Questaal Installation
Questaal
Gaussian
Structure Library
Misc.
Monte Carlo
Ensembles
Microcanonical Ensemble
Markov Chain Monte Carlo
Dynamical Billiards
Coding Best Practices
New Students Start Here
Dynamics
Numerical Integration
Integral Transforms
Image Tags
Plotting for Papers
Data Management
Example
How to Add to this Manual
References
Master Equations
DMFT
Wannier
VASP
LAMMPS
LAMMPS
CURC
VASP Misc. Tips and Tricks
VASP Output Files
VASP has numerous output files that it can generate. Highlighted here are the ones that are the most common and useful. Read More ›

Installing VASP
VASP Input Files and Flags
VASP has four main files that are required for any calculation and numerous flags that can be changed. This list is not exhaustive, but demonstrates some of the most common ones. Read More ›

Common Calculations in VASP
Random Useful Commands to Add as an Alias
Automation Tips
Plotting in Mathematica
The struggle to make decent plots in Mathematica is definitely one of the main reasons to avoid the program. However, using the following tips will help you generate presentation worthy, if not paper worthy, figures in no time. Read More ›

Commenting in Mathematica
Have you ever wanted your Mathematica notebooks to look nicely organized and polished? Look here for tips that will help you get there. Read More ›

Mathematica
Using Julia on a Supercomputer
Setting up Julia
Revise
Plotting in Julia
Making Julia Work
Making Julia Better
Julia
PhD Theses
Color Palettes
Code Base