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jiyuang
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add some examples for plot PDOS and PBANDS
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tools/plot-tools/abacus_plot/band.py

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@@ -756,7 +756,7 @@ def plot(self,
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if __name__ == "__main__":
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import matplotlib.pyplot as plt
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from pathlib import Path
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parent = Path(r"C:\Users\YY.Ji\Desktop\Si")
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parent = Path(r"../examples/Si")
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name = "PBANDS_1"
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path = parent/name
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fig, ax = plt.subplots(figsize=(12, 6))

tools/plot-tools/abacus_plot/dos.py

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@@ -517,7 +517,7 @@ def plot(self,
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# energy_range=energy_range, dos_range=dos_range, notes={'s': '(a)'})
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# fig.savefig("tdos.png")
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pdosfile = r"C:\Users\YY.Ji\Desktop\Si\PDOS"
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pdosfile = r"../examples/Si/PDOS"
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pdos = PDOS(pdosfile)
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#species = {"Ag": [2], "Cl": [1], "In": [0]}
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atom_index = {1: {1: [0, 1]}}

tools/plot-tools/examples/Si/README

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(1) The input files of this example is chosen from ABACUS/examples/02(c-d). Extra parameter "out_proj_band" for
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PBANDS calculation is needed in 02c.
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(3) It is recommended that one use a script to parse PDOS and PBANDS, or you can do it by `python band.py` and `python dos.py` directly.
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(2) It is recommended that one use a script to parse PDOS and PBANDS, or you can do it by `python band.py` and `python dos.py` directly.
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(2) There is a bug when use command-line to parse PBANDS:
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(3) There is a bug when use command-line to parse PBANDS:
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```
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Traceback (most recent call last):
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File "F:\software\Anaconda\Scripts\abacus-plot-script.py", line 33, in <module>

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