Skip to content

Update dipole.py #2270

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
denghuilu merged 1 commit into from
Apr 21, 2023
Merged

Update dipole.py #2270

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
8 changes: 7 additions & 1 deletion tools/plot-tools/abacus_plot/dipole.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -93,9 +93,15 @@ def plot_abs(self, fig: Figure, ax: axes.Axes, directions: list = [0, 1, 2], x_r
labels = {0: 'X', 1: 'Y', 2: 'Z'}
x_data = self.energies if unit == 'eV' else sc.nu2lambda(
sc.eV/sc.h*self.energies)*1e9


#plot the adsorption spectra and output the data
adsorption_spectra_data = x_data[:, np.newaxis]
for direc in directions:
ax.plot(x_data, self.get_abs(direc), label=labels[direc])
adsorption_spectra_data = np.concatenate((adsorption_spectra_data, self.get_abs(direc)[:, np.newaxis]),axis=1)
if direc != directions[-1]:
adsorption_spectra_data = np.concatenate((adsorption_spectra_data, x_data[:, np.newaxis]),axis=1)
np.savetxt('absorpation_spectra.dat', adsorption_spectra_data)

xlabel = 'Energy (eV)' if unit == 'eV' else 'Wave Length (nm)'
ax.set_xlabel(xlabel)
Expand Down