mirror of https://github.com/abinit/abinit.git
28 lines
1.1 KiB
Plaintext
28 lines
1.1 KiB
Plaintext
#test silicon linear chain : generate potential and wf at k
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acell 3*10.00
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densty 1.2
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diemac 12.0d0
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ecut 1.20
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intxc 1
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kptopt 0
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kpt
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0.00000 0.00000 0.00000
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natom 2 nband 04
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ngfft 3*16
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nkpt 1
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nline 2
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nstep 2
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nsym 1
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ntypat 1
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occ 4*2.0d0
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occopt 0
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prtvol 10
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rprim 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
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timopt -1
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xred 0.0 0.0 -0.15
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0.0 0.0 0.15
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tolwfr 1.e-22
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typat 1 1
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wtk 1.0
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znucl 14.0
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