------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: bands.x / PWscf / Quantum Espresso
------------------------------------------------------------------------
Purpose of bands.x:
Rewrite the bands ordering them using the overlap
of the wave-functions on neighbor k points
and calculate properties of each eigen-function.
Presently it can calculate:
(a) The expectation value of the spin operator on each spinor
wave-function.
(b) The symmetry properties of each wavefunction. With this option
the bands are not ordered according to the overlap.
The input data of this program are read from standard input
or from a file and have the following format:
Structure of the input data:
============================
&BANDS
...
/
========================================================================
NAMELIST: &BANDS
+--------------------------------------------------------------------
Variable: prefix
Type: CHARACTER
Description: prefix of files saved by program pw.x
+--------------------------------------------------------------------
+--------------------------------------------------------------------
Variable: outdir
Type: CHARACTER
Description: directory containing the input data,
i.e. the same as in pw.x
Default: value of the ESPRESSO_TMPDIR environment variable if set;
current directory ('./') otherwise
+--------------------------------------------------------------------
+--------------------------------------------------------------------
Variable: filband
Type: CHARACTER
Description: file "filband" contains the bands
+--------------------------------------------------------------------
+--------------------------------------------------------------------
Variable: spin_component
Type: INTEGER
Description: In the lsda case select:
1 = spin-up
2 = spin-down
+--------------------------------------------------------------------
+--------------------------------------------------------------------
Variable: lsigma(i), i=1,3
Type: LOGICAL
Description: 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).
+--------------------------------------------------------------------
+--------------------------------------------------------------------
Variable: lsym
Type: LOGICAL
Description: 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.
+--------------------------------------------------------------------
+--------------------------------------------------------------------
Variable: no_overlap
Type: LOGICAL
Default: .false.
Description: If .true. writes the eigenvalues in the output file
without changing their order.
+--------------------------------------------------------------------
+--------------------------------------------------------------------
Variable: plot_2d
Type: LOGICAL
Default: .false.
Description: 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.
+--------------------------------------------------------------------
+--------------------------------------------------------------------
Variables: firstk, lastk
Type: INTEGER
Description: if lsym=.true. makes the symmetry analysis only for k
points between firstk to lastk
+--------------------------------------------------------------------
===END OF NAMELIST======================================================