mirror of https://gitlab.com/QEF/q-e.git
34 lines
1.2 KiB
Plaintext
34 lines
1.2 KiB
Plaintext
# of frequency grid : 500
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ltetra : 2
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Dynamical mtrix file : al.dyn
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mu* : 0.100000000000000
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prefix : /home/kawamura/programs/QE/dfpttetra/tempdir/aluminum
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open data-file.xml
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Lattice parameter[a.u.] : 7.62821686200000
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Direct lattice vector[a] :
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-0.50000 0.00000 0.50000
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0.00000 0.50000 0.50000
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-0.50000 0.50000 0.00000
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Reciprocal lattice vector[2pi/a] :
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-1.00000 -1.00000 1.00000
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1.00000 1.00000 1.00000
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-1.00000 1.00000 -1.00000
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# of atoms : 1
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# of species : 1
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# of modes : 3
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Atomic masses [AMU]
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Atom. 1 : 0.26980E+02
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# of BZ symmetry : 48
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q grid : 4 4 4
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Total # of q : 64
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# of irreducible q : 10
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lambda : 0.397787500000000
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omegalog[Ryd] : 1.936523140606222E-003
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omegalog[THz] : 6.37085128889197
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omegalog[K] : 305.752545614457
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Tc(McMillan) : 1.24356278757688
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Optimized tetrahedron method is used.
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Energy distance : 4.576514605123168E-006
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lambda : 0.394844162068448
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omglog : 1.962537910808473E-003
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