TABLE OF CONTENTS
INTRODUCTION
&lr_input
prefix  outdir  restart  restart_step  lr_verbosity  disk_io
&lr_control
approximation  q1  q2  q3  calculator  itermax  pseudo_hermitian  alpha_mix(i)  epsil  units  start  end  increment
INTRODUCTION
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
...
/
Namelist: &lr_input

This namelist is always needed !
prefix 
CHARACTER 
Default: 
'pwscf'

Sets the prefix for generated and read files. The files
generated by the ground state pw.x run must have this
same prefix.

outdir 
CHARACTER 
Default: 
'./'

The directory that contains the run critical files, which
include the files generated by ground state pw.x run.

restart 
LOGICAL 
Default: 
.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.

restart_step 
INTEGER 
Default: 
itermax

The code writes restart files every restart_step iterations.
Restart files are automatically written at the end of
itermax Lanczos steps.

lr_verbosity 
INTEGER 
Default: 
1

This integer variable controls the amount of information
written to standard output.

disk_io 
CHARACTER 
Default: 
'default'

Fine control of disk usage. Currently only 'reduced' is
supported where no restart files are written, apart from
the 'default' mode.



Namelist: &lr_control

approximation 
CHARACTER 
Default: 
'TDDFT'

A string describing a level of theory:
 'TDDFT' :
TimeDependent Local Density Approximation or
TimeDependent Generalized Gradient Approximation
(depending on the XC functional)
 'IPA' :
Independent Particle Approximation (IPA)
 'RPA_with_CLFE' :
Random Phase Approximation (RPA) with
Crystal Local Field Effects (CLFE)

q1, q2, q3 
REAL 
Default: 
1.0, 1.0, 1.0

The values of the transferred momentum q = (q1, q2, q3)
in Cartesian coordinates in units of 2pi/a, where
"a" is the lattice parameter.

calculator 
CHARACTER 
Default: 
'lanczos'

Variable that controls which algorithm is used to compute EELS spectra.
 'lanczos' :
corresponds to the Lanczos recursive algorithm
 'sternheimer' :
corresponds to the Sternheimer algorithm

itermax 
INTEGER 
Default: 
500

When calculator = 'lanczos', itermax is the
maximum number of Lanczos iterations that will be performed.
When calculator = 'sternheimer', itermax is the
maximum number of iterations in a SCF step for each frequency.

pseudo_hermitian 
LOGICAL 
Default: 
.true.

This variable is used only when calculator = 'lanczos'.
When set to .true. the pseudoHermitian Lanczos algorithm is
used. When set to .false. the nonHermitian Lanczos
biorthogonalization algorithm is used (which is two times slower).

alpha_mix(i) 
REAL 
Default: 
alpha_mix(1)=0.7

This variable is used only when calculator = 'sternheimer'.
Mixing parameter (for the ith iteration) for updating
the response SCF potential using the modified Broyden
method: D.D. Johnson, PRB 38, 12807 (1988).

epsil 
REAL 
Default: 
0.02

This variable is used only when calculator = 'sternheimer'.
The broadening/damping term (in Rydberg units).

units 
INTEGER 
Default: 
0

This variable is used only when calculator = 'sternheimer'.
The unit system used for the output, for start, end,
and increment input parameters.
0 = Rydbergs, 1 = Electron volts.

start 
REAL 
Default: 
0.0

See: 
end, increment

This variable is used only when calculator = 'sternheimer'.
start is the value of frequency starting from which the
susceptibility and the loss function (Im(1/eps)) will be computed.
start is specified in units controlled by units.

end 
REAL 
Default: 
2.5

See: 
start, increment

This variable is used only when calculator = 'sternheimer'.
end is the value of frequency up to which the
susceptibility and the loss function (Im(1/eps)) will be computed.
end is specified in units controlled by units.

increment 
REAL 
Default: 
0.001

See: 
start, end

This variable is used only when calculator = 'sternheimer'.
increment is an incremental step used to define the mesh
of frequencies between start and end.
increment is specified in units controlled by units.



