This file is indexed.

/usr/share/xcrysden/Tcl/bwid.tcl is in xcrysden-data 1.5.53-1.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below.

  1
  2
  3
  4
  5
  6
  7
  8
  9
 10
 11
 12
 13
 14
 15
 16
 17
 18
 19
 20
 21
 22
 23
 24
 25
 26
 27
 28
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38
 39
 40
 41
 42
 43
 44
 45
 46
 47
 48
 49
 50
 51
 52
 53
 54
 55
 56
 57
 58
 59
 60
 61
 62
 63
 64
 65
 66
 67
 68
 69
 70
 71
 72
 73
 74
 75
 76
 77
 78
 79
 80
 81
 82
 83
 84
 85
 86
 87
 88
 89
 90
 91
 92
 93
 94
 95
 96
 97
 98
 99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
#############################################################################
# Author:                                                                   #
# ------                                                                    #
#  Anton Kokalj                                  Email: Tone.Kokalj@ijs.si  #
#  Department of Physical and Organic Chemistry  Phone: x 386 1 477 3523    #
#  Jozef Stefan Institute                          Fax: x 386 1 477 3811    #
#  Jamova 39, SI-1000 Ljubljana                                             #
#  SLOVENIA                                                                 #
#                                                                           #
# Source: $XCRYSDEN_TOPDIR/Tcl/bwid.tcl                                       
# ------                                                                    #
# Copyright (c) 1996-2003 by Anton Kokalj                                   #
#############################################################################

proc BWIDGraph {file} {
    global properties ftn25 grafdata grafsize system prop graf
    
    # FIX THIS
    if { ![file exists $file] } {
	tk_dialog .err ERROR "ERROR! \nFile \"$file\" does not exists !!! \
		This is bug in brogram, please report to author !!!\n\
		Code: BWIDGraph -file not found-" error 0 OK
	return
    }
    
    set fileID [open $file r]

    #
    # query GrapherID
    #
    set gID [NextGrapherID]
    xcDebug "GrapherID:: -- $gID --"

    set grafdata($gID,N_graf)      1
    set grafdata($gID,N_segment,1) 2; # one is min band E, one is max band E
    set grafdata($gID,N_text)      1
    set grafdata($gID,barshadow,1) 0
    set graf($gID,RorigX,1)        0.0
    set graf($gID,RorigY,1)        0.0
    set graf($gID,RsizeX,1)        1.0
    set graf($gID,RsizeY,1)        1.0

    set done 0
    while { !$done } {
	gets $fileID line
	if { $system(c95_version) == "03" || $system(c95_version) == "06" || $system(c95_version) == "09" } {
	    #
	    # CRYSTAL03
	    #
	    # grep line: N. OF SCF CYCLES                8  FERMI ENERGY              -0.511E-01
	    set pattern1 "*N. OF SCF CYCLES*FERMI ENERGY*"
	    set pattern2 "*EFERMI(AU)*"
	} else {
	    set pattern1 "*TOTAL *FERMI ENERGY*"
	    set pattern2 "*EFERMI (A.U.)*"
	}

	if { [string match $pattern1 $line] } {
	    putsFlush stderr "EF line: $line"
	    set grafdata($gID,N_Yline,1)        1
	    set grafdata($gID,Yline1,1)         [lindex $line end]
	    set grafdata($gID,Yline1_text,1)    "E_Fermi"
	    set grafsize($gID,Yline1_fill,1)    #ff0000
	    set grafsize($gID,Yline1_width,1)   1
	    set grafsize($gID,Yline1_stipple,1) @$system(BMPDIR)/dotH.bmp
	}
	# may be Fremi energy was recalculated
	if { [string match $pattern2 $line] } {
	    puts stdout "EF line: $line"
	    set grafdata($gID,Yline1,1)         [lindex $line 5]
	}
	if { [regexp "BAND LIMITS" $line] } {
	    xcDebug "$line"
	    set band1 [lindex $line 4]
	    set band2 [lindex $line 7]
	    # read blank line
	    gets $fileID line
	    set done 1
	    break; # leave this break - otherwise it doesn't work (I don't know why)
	}
	xcDebug $line
    }

    set grafdata($gID,X_title,1)     "BAND number"
    set grafdata($gID,Y_title,1)     "E \[a.u.\]"
    set grafdata($gID,N_point,1)     [expr $band2 - $band1 + 1]
    set grafdata($gID,N_Xline,1)     [expr $grafdata($gID,N_point,1) - 1]
    set grafdata($gID,firstbar,1)    $band1
    set grafdata($gID,lastbar,1)     $band2
    # arbitrarily we set: Xmin to 0 & Xmax to 1
    set grafdata($gID,Xmin,1)        0.0
    set grafdata($gID,Xmax,1)        1.0
    set grafdata($gID,Xoffset,1)     0.2
    set grafdata($gID,Yoffset,1)     0.05
    set grafdata($gID,N_MXtick,1)    $grafdata($gID,N_point,1)
    set grafdata($gID,N_mXtick,1)    0
    set grafsize($gID,Mtick_size,1)  0
    set grafsize($gID,mtick_size,1)  0

    if { $grafdata($gID,N_point,1) < 1 } {
	tk_dialog .dialog WARNING "WARNING: Number of BANDs to plot is 0!!!" \
		error 0 OK
	return
    }
    
    set ng 1
    if { $prop(type_of_run) == "UHF" } {
	set ng 2
    }
    set grafdata($gID,barn,1) $ng

    set l [expr 1.0 / $grafdata($gID,N_point,1)]
    puts stdout "Npoint: $grafdata($gID,N_point,1);      lll: $l"
    
    for {set ig 1} {$ig <= $ng} {incr ig} {
	if { $ig == 2 } {
	    set done 0
	    while { !$done } {
		gets $fileID line
		if { [regexp "BAND LIMITS" $line] } {
		    set done 1
		    break
		}
	    }
	    # read blank line
	    gets $fileID line
	}
	for {set i 1} {$i <= $grafdata($gID,N_point,1)} {incr i} {
	    gets $fileID line
	    # t.k.:
	    while { [llength $line] == 0 } {
		gets $fileID line		
	    }
	    #/
	    if { $ig == 1 } {
		set grafdata($gID,Xtick${i}_text,1) [lindex $line 1]
		set grafdata($gID,Xtick$i,1) [expr ($i - 1) * $l + $l / 2]
		set grafdata($gID,X$i,1)     [expr ($i - 1) * $l + $l / 2]
		set grafsize($gID,bar${i}_fill,1)     #ff0000
		set grafsize($gID,bar${i}_outline,1)  #ff0000
		set grafsize($gID,bar${i}_shadow,1)   #aaaaaa
	
		if { $i < $grafdata($gID,N_point,1) } {	    
		    set grafdata($gID,Xline$i,1)          [expr $i * $l]
		    set grafsize($gID,Xline${i}_fill,1)   #000
		    set grafsize($gID,Xline${i}_width,1)  1
		    set grafsize($gID,Xline${i}_stipple,1) \
			    @$system(BMPDIR)/dotV.bmp
		}
	    } else {
		set grafsize($gID,bar${i}_fill,2)     #0000ff
		set grafsize($gID,bar${i}_outline,2)  #0000ff
		set grafsize($gID,bar${i}_shadow,2)   #999999
	    }
	    
	    # Y values
	    if { [llength $line] >= 5 } {
		set grafdata($gID,$i,1,$ig)           [lindex $line 3]
		set grafdata($gID,$i,2,$ig)           [lindex $line 5]
		puts stdout "VALUES: $grafdata($gID,$i,1,$ig)    $grafdata($gID,$i,2,$ig)"
	    } else {
		set grafdata($gID,$i,1,$ig) +999
		set grafdata($gID,$i,2,$ig) -999
	    }

	    if { $i == 1 && $ig == 1 } {
		set Ymin $grafdata($gID,$i,1,$ig)
		set Ymax $grafdata($gID,$i,2,$ig)
	    } else {
		if { $grafdata($gID,$i,1,$ig) < $Ymin } {
		    set Ymin $grafdata($gID,$i,1,$ig)
		}
		if { $grafdata($gID,$i,2,$ig) > $Ymax } {
		    set Ymax $grafdata($gID,$i,2,$ig)
		}
	    }
	    	    
	    set grafsize($gID,bar${i}_stipple,$ig)  gray50
	    set grafsize($gID,bar${i}_width,$ig)    1
	
	}
    }

    set yrange                       [expr $Ymax - $Ymin]
    set grafdata($gID,Ymin,1) \
	    [expr $Ymin - $yrange * $grafdata($gID,Yoffset,1)]
    set grafdata($gID,Ymax,1) \
	    [expr $Ymax + $yrange * $grafdata($gID,Yoffset,1)]
		
    puts stdout "YMin YMax:: $grafdata($gID,Ymin,1) $grafdata($gID,Ymax,1)"
	 
    set grafdata($gID,N_MYtick,1)    6
    set grafdata($gID,N_mYtick,1)    2
    
    set dy [expr ($grafdata($gID,Ymax,1) - $grafdata($gID,Ymin,1)) / \
	    ($grafdata($gID,N_MYtick,1) - 1)]
    for {set i 1} {$i <= $grafdata($gID,N_MYtick,1)} {incr i} {
	set grafdata($gID,Ytick$i,1)        [expr $Ymin + ($i - 1) * $dy]
	set grafdata($gID,Ytick${i}_text,1) \
		[TickFormat $grafdata($gID,Ytick$i,1)]
	puts stdout "YTICK:: $grafdata($gID,Ytick$i,1)"
    }
    set grafsize($gID,canW) 600
    set grafsize($gID,canH) 450	

    close $fileID
}