nmdl-mizo / interface_master

A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).
MIT License
12 stars 4 forks source link

About the description of MPInterfaces "it does not provide a straightforward usage to construct a specific CSL interface ..." in this package's arxiv paper. #25

Open hongyi-zhao opened 9 months ago

hongyi-zhao commented 9 months ago

In the arxiv paper of this package, there is the following description on page 3:

However, although it provides an effective tool to determine the interface structure by high-throughput simulation, it does not provide a straightforward usage to construct a specific CSL interface given its geometric information including the disorientation of the two lattices and the interface plane orientation (five- dimensional macroscopic parameters).

But I noticed this example provided by MPInterfaces. Doesn't this example demonstrate that MPInterfaces have the aforementioned feature?

Regards, Zhao

jinlhr542 commented 9 months ago

Dear Zhao

Many thanks for your interests in this package. MPinterface is doing a searching job to find a series of interfaces made by two lattice planes. However, if you have determined a interface knowing its indices and orientations of the two crystals making it, instead of searching for a series of interfaces and finding the one you like, you may need a package to directly find the interface you want by inputting the orientation information. This is exactly how our package works. There are many examples in the test_files folder. You can try to follow the processes. If you have further problems you can add my WeChat account 13765145309 and I can help you in Chinese.

best, Jason

hongyi-zhao commented 9 months ago

Nice. I have sent you a friend add request.