prefix |
CHARACTER |
prefix of files saved by program pw.x
|
outdir |
CHARACTER |
Default: |
value of the ESPRESSO_TMPDIR environment variable if set;
current directory ('./') otherwise
|
directory containing the input data,
i.e. the same as in pw.x
|
filband |
CHARACTER |
file "filband" contains the bands
|
spin_component |
INTEGER |
In the lsda case select:
1 = spin-up
2 = spin-down
|
lsigma(i), i=1,3 |
LOGICAL |
If true writes a file filband.i with the expectation
values of the spin operator on the spinor wave-functions.
(only in the noncollinear case).
|
lsym |
LOGICAL |
If .true. the bands are classified according to the
irreducible representations of the small group of k. A
file "filband".rap with the same format of "filband"
is written.
|
no_overlap |
LOGICAL |
Default: |
.false.
|
If .true. writes the eigenvalues in the output file
without changing their order.
|
plot_2d |
LOGICAL |
Default: |
.false.
|
If .true. writes the eigenvalues in the output file
in a 2D format readable by gnuplot. Band ordering is not
changed. Each band is written in a different file called
filband.# with the format:
xk, yk, energy
xk, yk, energy
.. .. ..
energies are written in eV and xk in units 2\pi/a.
|
firstk, lastk
|
INTEGER |
if lsym=.true. makes the symmetry analysis only for k
points between firstk to lastk
|
|
|