run_qe

set of python routines to launch QE with the spacegroup specifications

Name		Name	Last commit message	Last commit date
Latest commit History 104 Commits
info		info
make_input		make_input
pseudo		pseudo
read_output		read_output
structures		structures
test_run		test_run
LICENSE		LICENSE
README.md		README.md
interactive_run.ipynb		interactive_run.ipynb
run_check_input_error.py		run_check_input_error.py
run_check_input_error_ibrav2.py		run_check_input_error_ibrav2.py
run_check_input_error_ibrav8.py		run_check_input_error_ibrav8.py
run_check_input_error_relax.py		run_check_input_error_relax.py
run_kpt_conv.py		run_kpt_conv.py
run_kpt_conv_hpc.py		run_kpt_conv_hpc.py
run_relax_Si.py		run_relax_Si.py
run_relax_Si_new.py		run_relax_Si_new.py
symmetrize_qe_out.py		symmetrize_qe_out.py
test_run.py		test_run.py
test_run_hpc.py		test_run_hpc.py

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