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')
p._send('altxaxis ticklabel type spec')
p._send('altxaxis tick place opposite')
p._send('altxaxis tick spec %d' % (len(labels)-1))
for i in range(len(labels)-1):
p._send('altxaxis tick major %d,%f' % (i,ed[i]))
p._send('altxaxis ticklabel %d, "%s"' % (i,labels[i]))
W2=array([9.11,9.7,10.47,11.1,12.14,12.84,13.21,13.03])
W=sqrt(W2)
p=GracePlot(3.,4)
p.SetView(0.15,0.15,0.95,1.25)
d=Data(tb_Wd,W,symbol=Symbol(symbol=circle,fillcolor=red),
line=Line(type=0))
# from best fit of the data
#width=0.92*V_pt3d/min(V_pt3d)+0.92
V_data=Data(V_pt3d,W,symbol=Symbol(symbol=circle,fillcolor=black),
line=Line(type=0))
p.plot(V_data)
for i in range(len(labels)):
p.text(labels[i],x=V_pt3d[i]+0.002,y=W[i],font=2,charsize=1.4)
p.xlabel('Pt-X Matrix Element (eV)')
p.ylabel('Pt rms d-band width (eV)')
p.save('figure3.eps')
p.save('figure3.pdf')
p.save('figure3.agr')
