Input data format: { } = optional, [ ] = it depends.
All quantities whose dimensions are not explicitly specified are in
RYDBERG ATOMIC UNITS
BEWARE: TABS, DOS <CR><LF> CHARACTERS ARE POTENTIAL SOURCES OF TROUBLE
Comment lines in namelists can be introduced by a "!", exactly as in
fortran code. Comments lines in ``cards'' can be introduced by
either a "!" or a "#" character in the first position of a line.
Structure of the input data:
===============================================================================
&lr_input
...
/
&lr_control
...
/
'pwscf'
Sets the prefix for generated and read files. The files
generated by the ground state pw.x run must have this
same prefix.
'./'
The directory that contains the run critical files, which
include the files generated by ground state pw.x run.
.false.
When set to .true., turbo_eels.x will attempt to restart
from a previous interrupted calculation. (see restart_step
variable).
Beware, if set to .false. turbo_eels.x will OVERWRITE any
previous runs.
itermax
The code writes restart files every restart_step iterations.
Restart files are automatically written at the end of
itermax Lanczos steps.
1
This integer variable controls the amount of information
written to standard output.
'default'
Fine control of disk usage. Currently only 'reduced' is
supported where no restart files are written, apart from
the 'default' mode.
500
Number of Lanczos iterations to be performed.
.true.
When set to .true. the pseudo-Hermitian Lanczos
algorithm is used. When set to .false. the
non-Hermitian Lanczos biorthogonalization algorithm
is used (which is two times slower).
'TDDFT'
A string describing a level of theory:
'TDDFT' - Time-Dependent Local Density Approximation or
Time-Dependent Generalized Gradient Approximation
(depending on the XC functional),
'IPA' - Independent Particle Approximation,
'RPA_with_CLFE' - Random Phase Approximation with
Crystal Local Field Effects.
1.0
The values of the transferred momentum
in Cartesian coordinates (i=1,2,3)
in units of 2pi/a0 (a0 = lattice parameter).
It must be specified as q1, q2, q3.