mirror of https://gitlab.com/QEF/q-e.git
31 lines
566 B
Plaintext
31 lines
566 B
Plaintext
&input
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title='Al',
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zed=13.0,
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rel=0,
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beta=0.5,
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rlderiv=2.4,
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eminld=-4.0,
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emaxld=4.0,
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deld=0.02d0,
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nld=3,
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config='[Ne] 3s2 3p1 3d0 ',
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iswitch=2,
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dft='LDA',
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/
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&test
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file_pseudo='Al.rrkj3',
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nconf=4,
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/
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2
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3S 1 0 2.00 0.00 2.60 2.60 1
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3P 2 1 1.00 0.00 2.90 2.90 1
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2
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3S 1 0 1.00 0.00 2.60 2.60 1
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3P 2 1 2.00 0.00 2.90 2.90 1
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2
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3S 1 0 2.00 0.00 2.60 2.60 1
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3P 2 1 0.00 0.00 2.90 2.90 1
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2
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3S 1 0 1.00 0.00 2.60 2.60 1
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3P 2 1 1.00 0.00 2.90 2.90 1
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