[Wien] Reg: wien2dfsdx package-2D Fermi surface

Shwetha Gummula shwetha.gummula at gmail.com
Thu May 1 15:23:04 CEST 2014


Dear wien2k users and developers,

         I am working on the 2d-Fermi surface plots by using the package
wien2dfsdx. I installed it (including opendx, plotgenc), and reproduced the
example file. Now i am trying to reproduce the 2D Fermi surface for known
compound LaFePO.

                 I have some queries regarding this,

1. Initially we have to run scf after that we have to run script sc_fc_mesh
(bcc_fc_mesh, fcc_fc_mesh, hex_fc_mesh etc depending on the crystal
structure) in order to get fort.2 file. My system is in tetragonal crystal
structure (primitive), which command i have to use for tetragonal crystal
structure (like hex_fc_mesh for hexagonal crystal structure).

2. After running (**_fs_mesh) this command it will show some particular
directions (like x-z, gamma-x-m etc), is there any way that we will get 2D
plots in other required directions.


can any one help me regarding this.
Thanking you
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