Problem with Basis of Titanium under Lattice Custom Command

Dear Sir,

I am developing a program on Titanium using LAMMPS. After lots of studies and following the queries of different people, I am able to use the Lattice Custom command and defined the a1, a2 and a3.

But I am facing problem in defining the basis of Titanium under lattice custom. I have tried every possible means and I have followed some of your earlier suggestion to other people regarding the same, but still that did not work out for me.

I shall be grateful to you if you can kindly help me in defining the ‘basis’ of Titanium under the lattice custom command.

Dear Sir,

I am developing a program on Titanium using LAMMPS. After lots of studies
and following the queries of different people, I am able to use the Lattice
Custom command and defined the a1, a2 and a3.

But I am facing problem in defining the basis of Titanium under lattice
custom. I have tried every possible means and I have followed some of your

there is a logic error here. had you tried *every* possible way, you
should have found the correct way by chance.

earlier suggestion to other people regarding the same, but still that did
not work out for me.

"it doesn't work" is a useless description. nobody can help with that.

I shall be grateful to you if you can kindly help me in defining the 'basis'
of Titanium under the lattice custom command.

the way how to use the lattice command is described in the
documentation. please understand that this mailing list is not a
classroom or a service that will do your work for you.
if you want help with a specific problem, you first need to precisely
describe the problem and provide a matching input example.

axel.

But I am facing problem in defining the basis of Titanium under lattice
custom. I have tried every possible means and I have followed some of your

This makes no sense to me. Titanium a simple crystal structure. We already provide on the doc page an example of how to use the lattice command with the basis keyword to build CdSe wurtzite, which is more complicated than any titanium structure. If you understand the basics of crystal structure (e.g. what is wurtzite?) you should be able to build any titanium crystal structure by just modifying and simplifying the CdSe example. If you are still unable to make it work, you probably have not learned enough about crystal structure. Get a book.

Aidan