I want to optimize the unit cell of a molecule crystal. My calculation program require factional coordinates of the system which I extract from the cif file of the moleculeer crystal. However, when I ...
1. What is mechanism of cleave module? For example, when I use FCC with (111) cleave surface, then what is the meaning of the a b c direction? a is [111]? 2. How can I get BC...
How to build polymer structures, or how to input the polymer data files generated from other software?
Is there a way to build nanoclusters?
From where I can get a Graphene structure to make nano-tubes???
Hi to everyone ,it my pleasure to be here toconnect the like thinking minds on this platform. if anyone are doing modelling energy storage materials for a good techincal disscussion for the uplift th...
Hello everyone... i want to know that can i construct tip sample interraction in the form of molecules or atoms?