| kpoint-run.pl |
script |
A perl script to run the test.
|
| TBPARAM.C.105.NRL.std |
potential |
Contains the parameters for C-ETB by Mehl et
al. at NRL
|
| KPOINT.2x2x2.xml |
kpoint |
Contains the 2x2x2 MP mesh and symmetry
information of a diamond structure in a fcc
unit cell.
|
| c-nrl.mp.xml |
ohmmsapp |
A main xml file to perform a total energy
calculation by 2x2x2 MP k-point mesh. Grid and
shift are given and ohmms generates the
mesh.
|
| c-nrl.mp.xml |
ohmmsapp |
A main xml file to perform a total energy
calculation by 2x2x2 MP k-point mesh. Use the
k-point and weights generated by ohmms in a
list format.
|
| c-nrl.src.xml |
ohmmsapp |
A main xml file to perform a total energy
calculation by 2x2x2 MP k-point mesh. Using an
external source KPOINT.2x2x2.xml generated by
ohmms.
|
| c-nrl.band.xml |
ohmmsapp |
A main xml file to perform a band structure
calculation using <sk/>'s.
|
