input_description -distribution {Quantum Espresso} -package PWscf -program d3.x { toc {} namelist INPUTPH { group { label { Variables that MUST BE SPECIFIED } var fildrho -type CHARACTER { info { The file containing the variation of the charge density at the q point under consideration, this file is produced by phonon. } default { ' ' } } var fild0rho -type CHARACTER { info { The file containing the variation of the charge density at q=0, this file is produced by phonon. } default { ' ' } } dimension amass -start 1 -end ntyp -type CHARACTER { info { ionic masses [atomic mass units] } } } var prefix -type CHARACTER { info { prefix for file names } default { 'pwscf' } } var outdir -type CHARACTER { default { value of the ESPRESSO_TMPDIR environment variable if set; current directory ('./') otherwise } info { Directory containing input, output, and scratch files; must be the same as specified in the calculation of the unperturbed system and for phonon calculation. } } var fildyn -type CHARACTER { info { The file where the derivative of the dynamical matrix will be written } default { 'd3dyn' } } var ethr_ph -type REAL { info { Threshold for iterative diagonalization (accuracy in ryd of the calculated eigenvalues). } default { 1.0d-5 } } dimension q0mode_todo -start 1 -end 3*nat -type INTEGER { info { 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 } } var wraux -type LOGICAL { info { If .true. the program will write different terms of the matrix on different files. } default { .false. } } var recv -type LOGICAL { info { Specify .true. for a recover run. } default { .false. } } var istop -type INTEGER { default { 0 } info { 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. } } var iverbosity -type INTEGER { default { 0 } info { type of printing ( 0 few, 1 all ) } } } }