Hi,
As we know when we have the unit cell parameters of a crystal, we can easily build the crystal structure , and using the Discover module to optimize the energy, then in Morphology module the crystal habit can be predicted by BFDH model or AE model. However, the obtained crystal habit using this method is the habit under vacuum condition, that is to say this method neglect the influence of the solvent on the crystal habit. So is there any detailed description about how to predict the crystal habit in the solvent enviroment? For example how to build the solvent unit, how to make sure the number the solvent molecules in every solvent unit, etc. Could you so kindly provide me a certain example about how to predict the crystal habit in the solvent enviroment? Many thanks!
Regards,
Guangyang