#p.SetView(.15,.15,.9,1.1)
hdata=Data(ed,dissH_H,symbol=Symbol(symbol=circle,fillcolor=red,size=1.4),
line=Line(linestyle=0),
legend='H\s2')
odata=Data(ed,dissH_O_450,symbol=Symbol(symbol=square,fillcolor=orange,size=1.4),
line=Line(linestyle=0),
legend='O\s2')
zero=Data([-3.2,-2.4],[0,0],
symbol=Symbol(symbol=0),
line=Line(color=black))
p.plot(hdata,odata,zero)
p.xaxis(-3.2,-2.4)
p.yaxis(-2,1)
p.legend(x=-2.6,y=0.7,font=2,charsize=1.3)
p.xlabel('d-band center (eV)')
p.ylabel('dissociative adsorption energy (eV)')
p._send('xaxis tick place normal')
p._send('altxaxis on')
p._send('altxaxis ticklabel font 2')
p._send('altxaxis ticklabel char size 1.4')
p._send('altxaxis ticklabel place opposite')
rhod_ef=[1.65, 2.04, 2.80, 3.58, 4.23, 4.78, 4.78, 5.19].reverse()
rho_ef=[31.65, 33.14, 36.60, 33.86, 25.20, 20.37, 16.55, 16.74];
sf=6.75/8;
ed=[-2.44, -2.60, -2.74, -2.84, -3.00, -3.12, -3.18, -3.16];
dw=[9.11, 9.70, 10.47, 11.10, 12.14, 12.84, 13.21, 13.03];
p=GracePlot()
#p.SetView(0.15,0.15,0.9,1.1)
#set(gcf,'Units','inches','Position',[1 1 6.75 4],'PaperPositionMode','auto','PaperSize',[6.75 4])
d1=Data(ed,map(lambda x:sqrt(x), dw),
symbol=Symbol(symbol=circle,fillcolor=orange,size=1.4),
line=Line(linestyle=0),
legend='data')
fit=Data([-3.2,-2.6],[-1.*-3.2+0.5,-1.*-2.6+0.5],
line=Line(linestyle=1,color=black,linewidth=4),
legend='y=0.5-x')
p.plot(d1,fit)
p.xaxis(-3.3,-2.5)
p.yaxis(3,3.7)
p.xlabel('d-band center (eV)')
#p.ylabel("""\\x\\c\\z{1.4}V\\m{1}\\z{0.9}\\v{0.75}>>>>>\\N\\C\\f{}\M{1}d-band width""")
p.ylabel("""rms d-band width""")
#
#p.text(x=-2.6,y=3.65,string='(a.)',charsize=1.4,font=2)
p.save('figure2a_talk.png')
sf=6.75/8;
ed=[-2.44, -2.60, -2.74, -2.84, -3.00, -3.12, -3.18, -3.16];
dw=[9.11, 9.70, 10.47, 11.10, 12.14, 12.84, 13.21, 13.03];
p=GracePlot(3.0,4)
p.SetView(0.15,0.15,0.9,1.25)
#set(gcf,'Units','inches','Position',[1 1 6.75 4],'PaperPositionMode','auto','PaperSize',[6.75 4])
d1=Data(ed,rho_ef,
symbol=Symbol(symbol=square,fillcolor=black,size=1.4),
line=Line(linestyle=0),
legend='Density of states \\cW\C 0.17')
d2=Data(ed,rhod_ef,symbol=Symbol(symbol=circle,fillcolor=gray,size=1.4),
line=Line(linestyle=0),
legend='Density of d-states')
p.plot(d1,d2)
p.xaxis(-3.2,-2.4)
p.yaxis(1,7.5)
p.xlabel('d-band center (eV)')
p.ylabel('\\f{12}r\\f{2}\sE\sf\N (arbitrary units)')
p.text(x=-3.1,y=7,string='(b.)',charsize=1.4,font=2)
p.legend(x=-2.85,y=7.25,font=2,charsize=1.2)
p.save('figure2b.eps')
p.save('figure2b.pdf')
p.save('figure2b.agr')
# Acquisition
#####################################################################
# Open a Grace session (leave open)
p = GracePlot()
# Labels, axes properties, line/symbol properties for Grace plot
p.title("All your resonance are belong to us")
p.xaxis(
label=Label("Frequency (Hz)", font=5, charsize=1.5),
tick=Tick(
majorgrid=on, majorlinestyle=dashed, majorcolor=blue, minorgrid=off, minorlinestyle=dotted, minorcolor=blue
),
)
p.yaxis(
label=Label("Power", font=5, charsize=1.5),
tick=Tick(
majorgrid=on, majorlinestyle=dashed, majorcolor=blue, minorgrid=off, minorlinestyle=dotted, minorcolor=blue
),
)
s1 = Symbol(symbol=diamond, size=0.3, fillcolor=red)
l1 = Line(type=solid)
# Remember, the total frequency sweep range is being divided
# into nPieces subranges, we need to calculate the subrange size:
freqSubrangeSize = (stopFreq - startFreq) / nPieces
# Loop over number of subranges (nPieces) in frequency range ()
for thisStepNumber in range(nPieces): # thisStepNumber ranges from 0 -> nPieces-1
# Frequency range for THIS subrange
subStartFreq = startFreq + thisStepNumber * freqSubrangeSize
