| ... | ... | @@ -15,7 +15,7 @@ E E 000.0 0 0 1 0 |
|
|
|
where `E` is the energy.
|
|
|
|
|
|
|
|
- Set STEPS=1.
|
|
|
|
- Run one single iteration : `mpirun -np XX kkr.x`. Some *TBkkr* files should be written out. These files contain the Green function and t-matrix of the system.
|
|
|
|
- Run one single iteration : `mpirun -np XX kkr.x` Some *TBkkr* files should be written out. These files contain the Green function and t-matrix of the system.
|
|
|
|
|
|
|
|
#### Perform the Fermi surface calculation
|
|
|
|
|
| ... | ... | |
