把共晶cif文件拖进去
forcit模块优化结构
morphology模块模拟计算为什么算不出晶习?
The growth rate calculation found one or more unstable crystal surfaces.
Check the lattice energy, it should be negative for a stable crystal structure.
If it is not you may be using an unsuitable forcefield for the crystal under
consideration or you may have an unstable or an unoptimized crystal structure.