potential drop at the surface

set term postscript eps color enhanced

set encoding iso_8859_1

set output 'BTO_bulkterm_drho_avg.eps'

alat= 4.036

vacti=0.29994E+01

vacba=0.10850E+01

yrv=12

yrr=0.2

## BaO term

bba1 = 14.047138969 ; bti1 = 12.178400868

bba2 = 10.077888813 ; bti2 = 8.089691766

bba3 = 6.053999700 ; bti3 = 4.035999800

bba4 = 2.017999900 ; bti4 = 0.000000000

## TiO2 term

tba1 = 12.215359932 ; tti1 = 14.021126498

tba2 = 8.074538640 ; tti2 = 10.076364657

tba3 = 4.035999800 ; tti3 = 6.053999700

tba4 = 0.000000000 ; tti4 = 2.017999900

set size 0.8,0.8

set tmargin 3.5

set xr[alat*0.5:22]

set xlabel "{/Times-Itallic=18 z}{/Times-Roman=18, BaO termination}" tc lt 1

set xtics tc lt 1

set xtics font 'Helvetica'

set xtics ('TiO_2' bti1,'TiO_2' bti2,'TiO_2' bti3,'TiO_2' bti4 ,\

'BaO' bba1,'BaO' bba2,'BaO' bba3,'BaO' bba4 )

set xtics nomirror

set x2label "{/Times-Itallic=18 z}{/Times-Roman=18, TiO_2 termination}" tc lt 3

set x2tics ('TiO_2' tti1,'TiO_2' tti2,'TiO_2' tti3,'TiO_2' tti4,\

'BaO' tba1,'BaO' tba2,'BaO' tba3,'BaO' tba4)

set x2tics nomirror

set x2tics tc lt 3

set yr[-yrv:yrv]

set ylabel "{/Symbol {/=16 @^{{ } \276}}D}{/Times-Roman V (Volt)}"

set ytics ('-6' -yrv/2-6,'-4' -yrv/2-4,'-2' -yrv/2-2 , '0' -yrv/2, '2' -yrv/2+2,'4' -yrv/2+4 ,' ' -yrv/2+6 ,\

'-4' yrv/2-4,'-2' yrv/2-2 , '0' yrv/2, '2' yrv/2+2,'4' yrv/2+4, '6' yrv/2+6)

set ytics nomirror

set y2r[-yrr:yrr]

set y2label "{/Symbol {/=16 @^{{ } \276}}Dr} {/Times-Roman (|{/Times-Itallic e}|/u.c./\305)}"

set y2tics ('-0.1' -yrr/2-0.1,'-0.05' -yrr/2-0.05 , '0' -yrr/2, '0.05' -yrr/2+0.05,'0.1' -yrr/2+0.1 ,\

' ' yrr/2-0.1,'-0.05' yrr/2-0.05 , '0' yrr/2, '0.05' yrr/2+0.05,'0.1' yrr/2+0.1)

set y2tics nomirror

p 'bto_c2x2_tio2.drho.dat' u 1:((-$3)/2 + yrr/2) axe x1y2 w l lt 1 lc 3 lw 2 t "{/Symbol {/=16 @^{{ } \276}}Dr}, TiO_2" ,\

'bto_c2x2_tio2.dVst.dat' u 1:((-$3) + yrv/2 +vacti) axe x1y1 w l lt 4 lc 3 lw 2 t "{/Symbol {/=16 @^{{ } \276}}D{/Times-Roman V}}, TiO_2" ,\

'bto_c2x2_bao.drho.dat' u 1:((-$3)/2 -yrr/2) axe x1y2 w l lt 1 lc 1 lw 4 t "{/Symbol {/=16 @^{{ } \276}}Dr}, BaO" ,\

'bto_c2x2_bao.dVst.dat' u 1:((-$3) -yrv/2 +vacba) axe x1y1 w l lt 4 lc 1 lw 4 t "{/Symbol {/=16 @^{{ } \276}}D{/Times-Roman V}}, BaO" ,\

yrv/2 lt 1 lw 1 lc 7 t '',\

-yrv/2 lt 1 lw 1 lc 7 t ''