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Akai-KKR (dos plot)

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◆ Usage
cd $HOME/cpa2002v009v
kkrdosplot filename
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◆ kkrdosplot
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#! /bin/csh -f
#date
#
echo $1
set address = `pwd`
echo "$address"
#   dos plot data
    cd $address/out
    set DATE = `date`
    echo "dos plot: "$DATE >> $address/out/log.txt
#    echo "Z"${No}"dos plot: "$DATE
    set up_start_line = `grep -e "TDOS_up" -n $1 |  sed -e 's/:.*//g'`
#    echo $up_start_line
    set up_end_line = `grep -e "IDOS_up" -n $1 |  sed -e 's/:.*//g'`
#    echo $up_end_line
    @ up_start_line += 1
    @ up_end_line -= 1
    sed -n ${up_start_line},${up_end_line}p $1 > dos_up
#
    set down_start_line = `grep -e "TDOS_dn" -n $1 |  sed -e 's/:.*//g'`
#    echo $down_start_line
    set down_end_line = `grep -e "IDOS_dn" -n $1 |  sed -e 's/:.*//g'`
#    echo $down_end_line
    @ down_start_line += 1
    @ down_end_line -= 1
    sed -n ${down_start_line},${down_end_line}p $1 > dos_down
#
    join -j1 1 -j2 1 -o 1.1 1.2 2.2 dos_up dos_down > dos_temp0
    awk '{print $1*13.606,$2/13.606, $3/13.606}' dos_temp0 > dos_temp1
    sed '/0 0/d' dos_temp1 > dos_updn
    sed '/0 0/d' dos_temp1 > dos_updn
    awk '{print $1*13.606,($2+$3)/13.606}' dos_temp0 > dos_temp2
    sed '/0 0/d' dos_temp2 > tdos
    sed '/0 0/d' dos_temp2 > tdos
    rm -f dos_up
    rm -f dos_down
    rm -f dos_temp0
    rm -f dos_temp1
    rm -f dos_temp2
    echo $1 > now_cycle
#    echo ${No} >> now_cycle
# data (Now out address)------------
    $address/gplot
# --------------------
    rm -f dos_updn
    rm -f tdos
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◆ gplot
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#!/bin/csh -f

set tempfile = `sed -n 1p now_cycle`
#set No = `sed -n 2p now_cycle`
set filename  = $tempfile
set psformat  = $filename".ps"
set epsformat = $filename".eps"

gnuplot -persist << EOF

set title "$filename"
set size 0.7,1.0
set xr[-12.0:6.0]
set xl "{/=30 Energy  / eV}"
set yr[0.0:*]
set yl "{/=30 Density of States / eV}"

set yzeroaxis lt 2 lw 2 lc rgb "black"

# linetype=lt, linecolor=lc, linewidth=lw, pointtype=pt, pointsize=ps
# with=w, line=l, color setting=lc rgb "",
set key box center top

# dos_updn
#plot "dos_updn" using 1:2 w l lt 1 lw 2 lc rgb "black" title "{/=30 up spin}", "dos_updn" using 1:3 w l lt 1 lw 2 lc rgb "black" title "{/=30 down spin}"

# tdos
plot "tdos" using 1:2 w l lt 1 lw 2 lc rgb "black" title "{/=30 total}"

unset key
#set key left top

set size 1.0,1.0
set terminal postscript color enhanced "Arial" 30
set out "$psformat"
replot

#set size 1.5,2.1
#set terminal postscript eps color enhanced "Arial" 30
#set out "$epsformat"
#replot

set terminal x11

EOF
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