mirror of https://gitlab.com/QEF/q-e.git
25 lines
502 B
Plaintext
25 lines
502 B
Plaintext
&input
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atom='Sn',
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rel=1,
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iswitch=3,
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rlderiv=3.0,
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eminld=-4.0,
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emaxld=+2.0,
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deld=0.02,
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nld=3,
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config='[Kr] 4d10 5s2 5p2',
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dft='PBE'
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/
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&inputp
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pseudotype=3,
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lloc=0,
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file_pseudopw='Sn.pbe-d-rrkjus.UPF',
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rho0=0.001
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author='PG'
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/
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4
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5P 2 1 2.00 0.00 2.60 2.60
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4D 3 2 10.00 0.00 1.60 2.00
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4D 3 2 0.00 -1.70 1.60 2.00
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5S 1 0 2.00 0.00 2.30 2.30
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