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source commands.tcl
module d3\#auto -title "PWSCF GUI: module D3.x" -script {
readfilter ::pwscf::d3ReadFilter
namelist inputph -name "INPUTPH" {
required {
var fildrho {
-label "File containing the variation of the charge at q (fildrho):"
-widget entryfileselectquote
-validate string
}
var fild0rho {
-label "File containing the variation of the charge at q=0 (fild0rho):"
-widget entryfileselectquote
-validate string
}
auxilvar ntyp {
-label "Number of types of atoms:"
-validate posint
-fmt %d
-default 1
-widget spinint
}
dimension amass {
-label "Atomic mass of each atomic type:"
-validate fortranreal
-start 1
-end 1
}
}
optional {
var prefix \
-label "Prefix for file names (prefix):" \
-widget [list entrybutton "Prefix ..." [list ::pwscf::selectFileRoot $this prefix]] \
-fmt %S -validate string
var outdir {
-label "Temporary directory (outdir):"
-widget entrydirselectquote
-validate string
}
var iverbosity {
-label "Verbosity of output (iverbosity):"
-textvalue {high low}
-value {1 0}
-widget radiobox
}
var fildyn -label "Output file with the derivative of the dynamical matrix (fildyn):" -validate string
var ethr_ph {
-label "Threshold for iterative diagonalization (ethr_ph):"
-validate fortranposreal
}
auxilvar nmode {
-label "Number of q=0 modes to compute:"
-validate posint
-default 1
-widget spinint
}
dimension q0mode_todo {
-label "The q=0 modes to compute"
-validate nonnegint
-widget spinint
-start 1
-end 1
}
var wraux {
-label "Write different terms of the matrix on different files (wraux):"
-textvalue {Yes No}
-value {.true. .false.}
-widget radiobox
}
var recv {
-label "Is this recover run (rcev):"
-textvalue {Yes No}
-value {.true. .false.}
-widget radiobox
}
var istop {
-label "Where to stop calculation, istop=0 means do not stop (istop):"
-widget spinint
-validate nonnegint
}
}
}
# ----------------------------------------------------------------------
# take care of specialities
# ----------------------------------------------------------------------
source d3-event.tcl
# ------------------------------------------------------------------------
# source the HELP file
# ------------------------------------------------------------------------
source d3-help.tcl
}
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