*** FILE AUTOMATICALLY CREATED: DO NOT EDIT, CHANGES WILL BE LOST *** ------------------------------------------------------------------------ INPUT FILE DESCRIPTION Program: turbo_magnon.x / turboMAGNON / Quantum ESPRESSO (version: 7.5) ------------------------------------------------------------------------ Input data format: { } = optional, [ ] = it depends. All quantities whose dimensions are not explicitly specified are in RYDBERG ATOMIC UNITS BEWARE: TABS, DOS 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 ! +-------------------------------------------------------------------- Variable: prefix Type: CHARACTER Default: 'pwscf' Description: Sets the prefix for generated and read files. The files generated by the ground state pw.x run must have this same prefix. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: outdir Type: CHARACTER Default: './' Description: The directory that contains the run critical files, which include the files generated by ground state pw.x run. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: restart Type: LOGICAL Default: .false. Description: 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. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: restart_step Type: INTEGER Default: itermax Description: The code writes restart files every restart_step iterations. Restart files are automatically written at the end of itermax Lanczos steps. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: lr_verbosity Type: INTEGER Default: 1 Description: This integer variable controls the amount of information written to standard output. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: disk_io Type: CHARACTER Default: 'default' Description: Fine control of disk usage. Currently only 'reduced' is supported where no restart files are written, apart from the 'default' mode. +-------------------------------------------------------------------- ===END OF NAMELIST====================================================== ======================================================================== NAMELIST: &LR_CONTROL +-------------------------------------------------------------------- Variable: itermax Type: INTEGER Default: 500 Description: Number of Lanczos iterations to be performed. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: pseudo_hermitian Type: LOGICAL Default: .true. Description: 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). +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: approximation Type: CHARACTER Default: 'TDDFT' Description: 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, +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: ipol Type: INTEGER Default: 1 Description: An integer variable that determines which column of the dynamical magnetic susceptibility will be computed: 1 -> chi_ax(omega), 2 -> chi_ay(omega), and 3 -> chi_az(omega), with a=(x,y,z). When set to 4, three Lanczos chains are sequentially performed and the full susceptibility tensor is computed. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variables: q1, q2, q3 Type: REAL Default: 1.0, 1.0, 1.0 Description: The values of the transferred momentum q = (q1, q2, q3) in Cartesian coordinates in units of 2pi/a, where "a" is the lattice parameter. +-------------------------------------------------------------------- ===END OF NAMELIST====================================================== This file has been created by helpdoc utility on Wed Sep 03 14:26:49 CEST 2025