File: test_aims_cmdline.py

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python-ase 3.21.1-2
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def test_aims_cmdline(cli):
    # warning! parameters are not converged - only an illustration!
    cli.shell("""ase build -x bcc -a 3.6 Li | \
    ase run aims -s 0.3 -p \
    kpts=1.5,xc=LDA,sc_accuracy_rho=5.e-2,relativistic=none,compute_analytical_stress=True,sc_accuracy_forces=5.e-1""", 'aims')