mirror of
https://github.com/triqs/dft_tools
synced 2024-07-11 05:43:48 +02:00
29 lines
842 B
Plaintext
29 lines
842 B
Plaintext
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scale
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1.0
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scale1
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1.0
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scale2
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1.0
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scale3
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1.0
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avec
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6.750100000 0.000000000 0.000000000
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0.000000000 6.750100000 0.000000000
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0.000000000 0.000000000 6.750100000
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atoms
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2 : nspecies
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'Al.in' : spfname
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1 : natoms; atpos, bfcmt below
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0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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'Ni.in' : spfname
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3 : natoms; atpos, bfcmt below
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0.50000000 0.50000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.50000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.50000000 0.50000000 0.00000000 0.00000000 0.00000000
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