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Commit dd825f1

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dyzheng
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Cleanup: remove unrelated debug logs, examples, and revert comment translation
- Removed pw-mag* debug log files (accidentally committed test outputs) - Removed unrelated DeePMD example files (INPUT_DPMD, INPUT_FIRE, INPUT_LJ) - Reverted comment translation in Wannier90 interface (not related to PR)
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examples/md/lcao_gammaonly_Si8/INPUT_DPMD

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examples/md/lcao_gammaonly_Si8/INPUT_FIRE

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examples/md/lcao_gammaonly_Si8/INPUT_LJ

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interfaces/Wannier90_interface/examples_python/example_pw.py

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@@ -64,7 +64,7 @@ def main():
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# 3. Dependency files (PW only needs pseudopotentials)
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# ----------------------------------------------------------
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job.pp_orbitals = {"Bi": "../../../tests/PP_ORB/Bi_pbe_fr.upf", "Se": "../../../tests/PP_ORB/Se_pbe_fr.upf"}
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# PW basis does not require orbital files, orbital_files not set
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# ← PW基组不需要轨道文件,不设置 orbital_files
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# ----------------------------------------------------------
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# 4. Wannier90 Parameters
@@ -99,7 +99,7 @@ def main():
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if DRY_RUN:
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job._validate_inputs()
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# Step 0: SCF (PW basis)
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# Step 0: SCF (PW基组)
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job.step0_run_scf(
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scf_mp_grid=[4, 4, 4],
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)

pw-mag

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pw-mag-afm-d

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pw-mag-afm-p

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pw-mag-afm-s

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pw-mag-fm

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pw-mag-fm-d

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