mirror of https://gitlab.com/QEF/q-e.git
29 lines
449 B
Plaintext
29 lines
449 B
Plaintext
&input
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title='Si',
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zed=14.0,
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rel=0,
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beta=0.5,
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rlderiv=1.5,
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eminld=-4.0,
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emaxld=4.0,
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deld=0.012d0,
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nld=3,
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iswitch=3,
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dft='PBE',
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/
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5
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1S 1 0 2.0 1
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2S 2 0 2.0 1
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2P 2 1 6.0 1
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3S 3 0 2.0 1
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3P 3 1 1.5 1
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&inputp
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pseudotype=1
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lloc=1,
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tm=.true.,
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file_pseudopw='SiPBE_nc',
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/
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2
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3S 1 0 2.00 0.00 2.40 2.40
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3P 2 1 1.50 0.00 2.40 2.40
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