Hello,
I performed a dos calculation, projected on two atom groups. each group contains 20 atoms.
However i am wondering, is there a way to identify from the .dat file or the .out, which projection corresponds to each group?
Thank you in advance
Hello,
I performed a dos calculation, projected on two atom groups. each group contains 20 atoms.
However i am wondering, is there a way to identify from the .dat file or the .out, which projection corresponds to each group?
Thank you in advance
Hi,
I need to perform a properties computation, specifically i need to study
Electron Transport Properties (BOLTZTRA).
However, i am particularly interested in one direction of the 3D space.
Is there an option to use an anisotropic grid in the NEWK block?
If not, is there another way to use an anisotropic grid in properties?
Thank you in advance