ABCrystal (Preview)¶
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Introduction¶
ABCrystal is a light-weighted but powerful program for molecular crystal structure predictions. In short, given a molecular structure and its Z, ABCrystal will give you a set of possible crystal structures (both atomic positions and crystal cell are optimized) under specified pressure and crystal family in several seconds or hours by itself without any third-party software.
ABCrystal is very easy to use, as long as you have ever used ABCluster. However, it is NOT finished yet. So, below is a PREVIEW version. The official version will be released as soon as possible.
Would like to download ABCrystal? Click Download Current Release!
Would like to use ABCrystal? Click ABCrystal Manual!
Download Current Release¶
Released on: Jun. 6, 2024
