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1331 Review
56 Karma

Review on VASP Source Code by Chef Buntiloy

Revainrating 5 out of 5

Great for visualizing and optimizing materials

I like that it's easy to use - if you're not using the specific functions of the software (e.g., DFT), then there are plenty of tutorials online that will walk you step by step. It can be slow at times when running large systems, but this isn't always apparent until after you've spent significant time debugging. There have been many occasions where my work could just as easily been done in Excel/Matlab. As mentioned above, one of the best features of MakeAVasp is its simplicity; however, sometimes it's hard to figure out how to do something with no explicit instructions. When working with larger molecules or supercells (which make computing faster), it becomes difficult to keep track of what atoms belong together. This makes troubleshooting very difficult. Also, some other programs may give more detailed information about which elements interact with eachother.

img 1 attached to VASP Source Code review by Chef Buntiloy



Pros
  • Flexibility
  • Simplicity for beginners.
  • Easy interface from within Mathematica notebooks without requiring any extra package installation suchas Python etc
Cons
  • There are troubles