A Tools to transform primitive cell orientation

[bsmile]

In case the orientation of a primitive cell is not what I want, is there tools to do a user-supplied 3D rotation to bring the primitive cell to the preferential orientation and output the new coordinates? Thanks,

 

[DrDu]

Yes, it is called linear algebra :-)

 

[bsmile]

Dude, thanks for your response anyway. Everybody learned linear algebra and I know it pretty well. For these well-developed topics and industry-like ab initio calculation, there should be ready tools existing to free individuals from detailed manipulation of matrices and close attention to avoid errors.

Yes, it is called linear algebra :-)

 

[DrDu]

Maybe VESTA can do this.

 

[bsmile]

I tried VESTA, and dragged the primitive cell to different orientations, and then output the structure to files, but found no change in the atomic positions. Maybe I did something wrong, if anybody knows how to do so with VESTA and let me know where I did anything wrong, I would be really appreciated!

 

[bsmile]

Anybody familiar with bilbao (http://www.cryst.ehu.es/#structuretop)? Anybody knows how to use one of the Structure Utilities, CELLTRAN?