------------------------------------------------------------------------ INPUT FILE DESCRIPTION Program: d3.x / PWscf / Quantum Espresso ------------------------------------------------------------------------ ======================================================================== NAMELIST: &INPUTPH ///--- VARIABLES THAT MUST BE SPECIFIED +-------------------------------------------------------------------- Variable: fildrho Type: CHARACTER Description: The file containing the variation of the charge density at the q point under consideration, this file is produced by phonon. Default: ' ' +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: fild0rho Type: CHARACTER Description: The file containing the variation of the charge density at q=0, this file is produced by phonon. Default: ' ' +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: amass(i), i=1,ntyp Type: CHARACTER Description: ionic masses [atomic mass units] +-------------------------------------------------------------------- \\\--- +-------------------------------------------------------------------- Variable: prefix Type: CHARACTER Description: prefix for file names Default: 'pwscf' +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: outdir Type: CHARACTER Default: value of the ESPRESSO_TMPDIR environment variable if set; current directory ('./') otherwise Description: Directory containing input, output, and scratch files; must be the same as specified in the calculation of the unperturbed system and for phonon calculation. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: fildyn Type: CHARACTER Description: The file where the derivative of the dynamical matrix will be written Default: 'd3dyn' +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: ethr_ph Type: REAL Description: Threshold for iterative diagonalization (accuracy in ryd of the calculated eigenvalues). Default: 1.0d-5 +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: q0mode_todo(i), i=1,3*nat Type: INTEGER Description: This array contains the list of the q=0 modes that will be computed. If q0mode_todo(1).eq.0 the program will compute every q=0 mode. Status: q0mode_todo is statically allocated to dimension 300 Default: 0 +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: wraux Type: LOGICAL Description: If .true. the program will write different terms of the matrix on different files. Default: .false. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: recv Type: LOGICAL Description: Specify .true. for a recover run. Default: .false. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: istop Type: INTEGER Default: 0 Description: If this number is set different from zero the program will stop after the specified routine and will write the partial result in the recover file. +-------------------------------------------------------------------- +-------------------------------------------------------------------- Variable: iverbosity Type: INTEGER Default: 0 Description: type of printing ( 0 few, 1 all ) +-------------------------------------------------------------------- ===END OF NAMELIST======================================================