axDef.plot(xDat, yDat)
axDef.set_xlim([xDat[0], xDat[-1]])
axDef.set_ylim(-0.5,3.0)
axDef.set_xticks(xDat)
axDef.set_xticklabels(xDat)
for i in xDat:
axDef.axvline(i, color='k', lw=0.5)
axDef.set_ylabel('$\Delta H_f$ (eV)')
axDef.axhline(y=0, ls='--', lw=0.5, color='k')
figDef.legend(legDef, ncol=1, prop={'size': 14}, loc='center', bbox_to_anchor=(0.78, 0.25))
plt.show()
if len(frags[prim]['fracs'].keys()) > 3:
axSlider = plt.axes([0.1, 0.05, 0.75, 0.02]) # [left,bottom,width,height]
sfree = Slider(axSlider, '$\Delta\mu_{%s}$' % str(free),
round(float(solve(frags[prim]['line'].subs(x, 0))[0]), 0), 0.0,
valinit=0.0, valstep=0.001, valfmt="%1.3f")
sfree.on_changed(update)
sfree.label.set_size(20)
axChecks = plt.axes([0.1, 0.1, 0.3, 0.4], frameon=False)
visibility = [shade.set_visible(False) if shade else [] for shade in shades]
check = PremiumCheckButtons(axChecks, ax.lines[1:], visibility, loc=3, borderaxespad=0)
check.on_clicked(shade)
cid = fig.canvas.mpl_connect('button_press_event', genDefect)
plt.show()
axes = {'labelpad': 16, 'labelsize': 20}
ticks = {'labelsize': 16}
arrows = {'fontsize': 12, 'labelpad': 20}
font = {'family': 'times new roman'}
opt = {'font': font, 'xtick': ticks, 'ytick': ticks, 'axes': axes}
for i in opt:
plt.rc(i, **opt[i])
locs = [r'E:\Research\VASP Data\BiVO4-V2O5\slabs\BVO\001']
periods = [2.55]
for loc in locs:
load(loc, axis="Z")
plot(periods=periods,
# save=True
)
axSlider = plt.axes([0.15, 0.05, 0.75, 0.02]) # [left,bottom,width,height]
sPeriod = Slider(axSlider,
'Period',
0.001,
latticelength[idir],
valinit=0.001,
valstep=0.001,
valfmt="%1.3f")
sPeriod.on_changed(update)
sPeriod.label.set_size(14)
plt.show()