mirror of https://github.com/abinit/abinit.git
26 lines
767 B
Plaintext
26 lines
767 B
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 3.1
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intxc 1
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istwfk 1
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kptopt 0
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kpt 2*0.0 0.03125
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natom 2
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nband 4
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nkpt 1
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nstep 4
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nsym 1
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ntypat 1
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prtgeo 10
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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 2*0.0 -0.15 2*0.0 0.15
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tolwfr 1.e-22
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typat 2*1
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wtk 1
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znucl 14.0
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