quantum-espresso/GUI/PWgui/modules/dos/dos.tcl

source commands.tcl

module Dos\#auto -title "PWSCF GUI: module Dos.x" -script {

    readfilter ::pwscf::dosReadFilter

    namelist dos -name "DOS" {
	optional {
	    var prefix {
		-label    "Prefix of outdir files saved by program PW.X (prefix):" 
		-fmt      %S -validate string
	    }
	    
	    var outdir {
		-label    "Temporary directory where PW.X files resides (outdir):"
		-widget   entrydirselectquote
		-fmt      %S -validate string
	    }

	    var fildos {
		-label "Prefix for output files containing DOS(E) (fildos):"
		-validate string
	    }
	    
	    separator -label "--- DOS ploting options ---"

            var bz_sum {                
                -label "Method for BZ summation (bz_sum):"
                -widget radiobox
                -value {                    
                    'smearing' 
                    'tetrahedra' 
                    'tetrahedra_lin' 
                    'tetrahedra_opt'
                }
                -textvalue {
                    Smearing
                    "Bloechl's tetrahedron method"
                    "Original linear tetrahedron method"
                    "Optimized tetrahedron method"
                }
            }

            var ngauss {
                -label   "Type of gaussian broadening (ngauss):"
                -widget  radiobox
                -value   {0 1 -1 99}
                -textvalue {
                    "Simple Gaussian (default)"
                    "Methfessel-Paxton of order 1"
                    "Marzari-Vanderbilt \"cold smearing\""
                    "Fermi-Dirac function"
                }
            }
            
            var degauss {
                -label     "Gaussian broadening \[in Ry\] (degauss):"
                -validate  fortranreal
            }        

	    var DeltaE {
		-label    "Resolution of PDOS plots \[in eV\] (DeltaE):"
		-validate fortranreal
	    }

	    var Emin {
		-label    "Minimum energy \[in eV\] (Emin):"
		-validate fortranreal
	    }

	    var Emax {
		-label    "Maximum energy \[in eV\] (Emin):"
		-validate fortranreal
	    }	    
	}
    }

    # ----------------------------------------------------------------------
    # take care of specialties
    # ----------------------------------------------------------------------
    source dos-event.tcl

    # ------------------------------------------------------------------------
    # source the HELP file
    # ------------------------------------------------------------------------
    source dos-help.tcl
}