mirror of https://gitlab.com/QEF/q-e.git
23 lines
500 B
Plaintext
23 lines
500 B
Plaintext
&input
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title='Pb',
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zed=82.,
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rel=2,
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config='[Xe] 4f14.0 5d10.0 6s2.0 6p2.0 ',
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iswitch=3,
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dft='PBE'
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/
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&inputp
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lloc=0,
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pseudotype=3,
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file_pseudopw='Pb.rel-pbe-rrkjus.UPF',
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author='ADC',
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/
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7
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6P 2 1 2.00 0.00 2.90 2.90 0.50
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6P 2 1 0.00 0.00 3.00 3.00 1.50
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5D 3 2 4.00 0.00 1.70 2.20 1.50
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5D 3 2 0.00 -1.30 1.70 2.20 1.50
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5D 3 2 6.00 0.00 1.70 2.20 2.50
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5D 3 2 0.00 -1.30 1.70 2.20 2.50
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6S 1 0 2.00 0.00 2.20 2.20 0.50
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