Papers › CIF2WAN: A Tool to Generate Input Files for Electronic Structure Calculations with Wannier90
CIF2WAN: A Tool to Generate Input Files for Electronic Structure Calculations with Wannier90
Christopher Sims
The archive published only this paper's code-link row. Authors, date and abstract are from arXiv's metadata (CC0), read from the Kaggle arXiv metadata snapshot of 2026-09-12 where its title matched the archive's; the title is the archive's.
The generation of input files for density functional theory (DFT) programs must often be manually done by researchers. If one wishes to produce a maximally localized wannier functions (MLWFs) the calculation consists of several separate files that must be formatted correctly in order for the program to work properly. Many of the inputs are repeated throughout the files and can be easily automated. In this work, a program is presented to generate all of the input files needed to produce wannier functions with Wannier90 starting from open source DFT programs such as Quantum Espresso, Abinit, and Siesta. In addition, the input files for WannierTools are also included for those that wish to produce surface green's functions for the generation of surface state bands. The program presented allows for users new to DFT to use the programs with minimal understanding of parameters needed to produce good results, in addition, this program allows for researchers who are advanced DFT users to utilize this program for high throughput wannier calculations.
Code
Repository list and official/mentioned flags are the archive's, frozen 2025-07-28. Reachability, where shown, is from one Syntology probe window (2026-09-16 to 2026-09-18); repositories not probed show nothing. GitHub stars are not tracked.
Code Syntology ran Syntology
Not run by Syntology. Nothing on this page verifies that the listed code works.
Results from the paper archive 2025-07-28
No leaderboard rows for this paper in the archive.
Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections