Hi, I am experiencing a weird situation that when I am using --replication to generate a supercell of a framework (with molecules in the structure), the framework is also treated as a molecule during replication. Thus, the final structure consisted of long bonds between clusters that were initially extending out of the unit cells. How can I solve this problem? The snapshot of the final structure is attached.
Hi, I am experiencing a weird situation that when I am using --replication to generate a supercell of a framework (with molecules in the structure), the framework is also treated as a molecule during replication. Thus, the final structure consisted of long bonds between clusters that were initially extending out of the unit cells. How can I solve this problem? The snapshot of the final structure is attached.
Thanks!!