mirror of https://gitlab.com/QEF/q-e.git
99 lines
2.2 KiB
Modula-2
99 lines
2.2 KiB
Modula-2
input_description -distribution {Quantum Espresso} -package PWscf -program d3.x {
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toc {}
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namelist INPUTPH {
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group {
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label { Variables that MUST BE SPECIFIED }
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var fildrho -type CHARACTER {
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info {
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The file containing the variation of the charge
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density at the q point under consideration, this
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file is produced by phonon.
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}
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default { ' ' }
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}
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var fild0rho -type CHARACTER {
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info {
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The file containing the variation of the charge
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density at q=0, this file is produced by phonon.
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}
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default { ' ' }
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}
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dimension amass -start 1 -end ntyp -type CHARACTER {
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info {
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ionic masses [atomic mass units]
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}
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}
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}
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var prefix -type CHARACTER {
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info { prefix for file names }
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default { 'pwscf' }
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}
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var outdir -type CHARACTER {
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info { scratch directory }
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default { './' }
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}
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var fildyn -type CHARACTER {
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info {
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The file where the derivative of the dynamical
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matrix will be written
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}
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default { 'd3dyn' }
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}
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var ethr_ph -type REAL {
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info {
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Threshold for iterative diagonalization
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(accuracy in ryd of the calculated eigenvalues).
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}
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default { 1.0d-5 }
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}
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dimension q0mode_todo -start 1 -end 3*nat -type INTEGER {
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info {
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This array contains the list of the q=0 modes that
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will be computed. If q0mode_todo(1).eq.0 the
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program will compute every q=0 mode.
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}
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status { q0mode_todo is statically allocated to dimension 300 }
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default { 0 }
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}
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var wraux -type LOGICAL {
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info {
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If .true. the program will write different terms
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of the matrix on different files.
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}
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default { .false. }
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}
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var recv -type LOGICAL {
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info { Specify .true. for a recover run. }
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default { .false. }
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}
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var istop -type INTEGER {
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default { 0 }
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info {
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If this number is set different from zero the
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program will stop after the specified routine
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and will write the partial result in the recover
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file.
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}
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}
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var iverbosity -type INTEGER {
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default { 0 }
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info { type of printing ( 0 few, 1 all ) }
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}
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}
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}
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