mirror of https://gitlab.com/QEF/q-e.git
22 lines
399 B
Plaintext
22 lines
399 B
Plaintext
&input
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atom='Cd',
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dft='PZ'
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iswitch=3,
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config='[Kr] 4d10 5s2 5p0'
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rlderiv=3.0, nld=3, eminld=-3.0, emaxld=+2.0
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/
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&inputp
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pseudotype=1
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lloc=0
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file_pseudopw='Cd.pz-rrkj.UPF'
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author='PG'
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/
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3
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5P 2 1 0.0 0.0 2.5 2.5
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4D 3 2 10.0 0.0 1.6 1.6
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5S 1 0 2.0 0.0 2.1 2.1
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! &test
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! ecutmin=30.0, ecutmax=80.0, decut=10.0
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! configts(1)='4d10 5s2 5p0'
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! /
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