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Feature: Ground state projection tool for RT-TDDFT (#5477)
* Update README.md * Ground state projection * Delete tools/plot-tools/abacus_plot/dipole.py * Delete tools/plot-tools/examples/N2 directory * Add files via upload * Delete tools/rt-tddft-tools/examples/ground-state-projection-Si/Excited_band_for_ik1.png * Delete tools/rt-tddft-tools/examples/ground-state-projection-Si/On_0.dat * Delete tools/rt-tddft-tools/examples/ground-state-projection-Si/On_1.dat * Delete tools/rt-tddft-tools/examples/ground-state-projection-Si/Si_ONCV_PBE-1.0.upf * Delete tools/rt-tddft-tools/examples/ground-state-projection-Si/Si_gga_8au_100Ry_2s2p1d.orb * Add files via upload * Delete tools/rt-tddft-tools/examples/ground-state-projection-Si/Excited_band_for_ik1.jpeg * Delete tools/rt-tddft-tools/examples/Absorpation-N2/out_abs.png * Delete tools/rt-tddft-tools/examples/Absorpation-N2/out_dipole.png * Update overlap_generator.py
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tools/plot-tools/README.md

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@@ -147,27 +147,3 @@ Then, the following command will output parsed partial DOS to directory `PDOS_FI
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abacus-plot -d -o
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```
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### Dipole and Absorption
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```python
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from abacus_plot.dipole import Dipole
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from abacus_plot.dipole import Absorption
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import matplotlib.pyplot as plt
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dipolefile = './SPIN1_DIPOLE'
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dipole = Dipole(dipolefile, dt=0.0024)
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Efile=[["efield_0.dat"],["efield_1.dat"],["efield_2.dat"]]
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#Efile is a 2D list, Efile[i][j] is the jth Efield data file in ith direction
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Abs = Absorption(dipolefile, Efile, dt=0.0024)
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fig1, ax1 = plt.subplots()
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fig1, ax1 = dipole.plot_dipole(fig1, ax1)
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fig1.savefig('dipole.png')
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fig2, ax2 = plt.subplots()
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x_range = [0, 20]
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fig2, ax2 = Abs.plot_abs(
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fig2, ax2, x_range=x_range, unit='eV')
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fig2.savefig('abs.png')
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```
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