See the online document: https://qvasp.com/
qvasp is a material high-throughput design software based on the VASP package, which mainly includes two functions:
1. Realizing high-throughput screening of materials, qvasp program not only can realize high-throughput material structure model constructing, but also provide high-throughput raw data postprocessing toolkits.
2. Assisting users to easily generate input files and process output files, realizing rapid conversion between graphics and code, and improving work efficiency.
Most toolkits in qvasp program are written by Wencai Yi, and some functions are originated from the internet. To avoid disputes, I only provide bash source codes in current conditions, and some Fortran programs only provide binary file.
If you need source code, do not hesitate to contact me at: [email protected].
Features
- Creating input files for VASP simulations
- Postprocessing raw output data of VASP
- Creating Moires superlattice
- Creating heterojunction from two 2D materials
- Creating nanotube from any two dimensional materials
- Constructing orthogonalize_cell
- ......
Project Samples
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