# Input File Description

## Program: turbo_magnon.x / turboMAGNON / Quantum ESPRESSO (version: 7.2)

> ### TABLE OF CONTENTS

> > INTRODUCTION

> > &LR_INPUT

> > > prefix | outdir | restart | restart_step | lr_verbosity | disk_io

> > &LR_CONTROL

> > > itermax | pseudo_hermitian | approximation | ipol | q1 | q2 | q3

> ### 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.

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outdir | CHARACTER
Default: | './'

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

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restart | LOGICAL
Default: | .false.

>     When set to .true., turbo_magnons.x will attempt to restart
>     from a previous interrupted calculation. (see restart_step
>     variable).
>     Beware, if set to .false. turbo_magnons.x will OVERWRITE any
>     previous runs.

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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.

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lr_verbosity | INTEGER
Default: | 1

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

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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.

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## Namelist: &LR_CONTROL

itermax | INTEGER
Default: | 500

>     Number of Lanczos iterations to be performed.

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pseudo_hermitian | LOGICAL
Default: | .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).

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approximation | CHARACTER
Default: | '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,

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ipol | INTEGER
Default: | 1

>     An integer variable that determines which element of the
>     dynamical magnetic susceptibility will be computed:
>     1 -> chi_xx(omega), 2 -> chi_yy(omega), and
>     3 -> chi_zz(omega). When set to 4, three Lanczos chains
>     are sequentially performed and the full susceptibility
>     tensor is computed.

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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.

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This file has been created by helpdoc utility on Sat Mar 18 15:45:38 CET 2023.