Code for BCC Lattice Algorithm: Start Here

[anupama sharma]

TL;DR

Can anybody help me on how to create a bcc lattice using fortran code.

I need to write a code for my simulation for which I have to create bcc lattice. Can anybody suggest how I can start since I am jumbled up this 3d lattice coordinate writing?

 

[berkeman]

Summary:: Can anybody help me on how to create a bcc lattice using fortran code.

I need to write a code for my simulation for which I have to create bcc lattice. Can anybody suggest how I can start since I am jumbled up this 3d lattice coordinate writing?

What are you going to simulate? Electronic transport, phonon propagation, X-ray diffraction, what?

https://www.researchgate.net/profile/Pedro_De_Andres2/publication/235504718/figure/fig1/AS:299894012170249@1448511712769/color-online-Unit-cell-sketch-along-Bains-transformation-bcc-c-a-1-middle-fcc.png

 

[anupama sharma]

I have to create primitive lattices in Fortran just for learning and the beginning of simulation for which I had already created simple cubic lattice but in bcc, I am having trouble. For reference, I can attach the code for sc that I had written...

 

[aaroman]

FCC and BCC are relatively easy to implement.
Check out my projects on Tight Binding https://compphys.go.ro/tight-binding/ and/or Empirical Pseudopotential https://compphys.go.ro/empirical-pseudopotential/ . Some referred documentation there might help.
Also the Augmented Plane Waves post and project and/or Korringa–Kohn–Rostoker method post and project might help, although those are a little more advanced. But the lattice implementation is similar, in this case it's particularized on the FCC lattice for Cu.