mirror of https://gitlab.com/QEF/q-e.git
82 lines
2.1 KiB
Plaintext
82 lines
2.1 KiB
Plaintext
--
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&inputepw
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prefix = 'gan'
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amass(1) = 69.723
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amass(2) = 14.007
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outdir = './'
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elph = .true.
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kmaps = .false.
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epbwrite = .true.
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epbread = .false.
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etf_mem = 1
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lpolar = .true.
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epwwrite = .true.
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epwread = .false.
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nbndsub = 18
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wannierize = .true.
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num_iter = 500
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!dis_win_max = 11
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!dis_froz_max= 11
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proj(1) = 'N:sp3'
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proj(2) = 'Ga:d'
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elecselfen = .false.
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phonselfen = .false.
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a2f = .false.
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fsthick = 3.0
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eptemp = 300.0
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degaussw = 0.1
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efermi_read = .true.
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fermi_energy= 9.9775
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dvscf_dir = '../phonons/save'
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filqf = 'gan_band.qpt'
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nk1 = 6
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nk2 = 6
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nk3 = 6
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nq1 = 6
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nq2 = 6
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nq3 = 6
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nkf1 = 10
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nkf2 = 10
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nkf3 = 10
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/
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28 cartesian
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0.000000000 0.000000000 0.000000000
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0.000000000 0.000000000 0.102242373
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0.000000000 0.000000000 0.204484747
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0.000000000 0.000000000 -0.306727120
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0.000000000 0.192450090 0.000000000
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0.000000000 0.192450090 0.102242373
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0.000000000 0.192450090 0.204484747
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0.000000000 0.192450090 -0.306727120
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0.000000000 0.384900179 0.000000000
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0.000000000 0.384900179 0.102242373
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0.000000000 0.384900179 0.204484747
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0.000000000 0.384900179 -0.306727120
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0.000000000 -0.577350269 0.000000000
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0.000000000 -0.577350269 0.102242373
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0.000000000 -0.577350269 0.204484747
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0.000000000 -0.577350269 -0.306727120
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0.166666667 0.288675135 0.000000000
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0.166666667 0.288675135 0.102242373
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0.166666667 0.288675135 0.204484747
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0.166666667 0.288675135 -0.306727120
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0.166666667 0.481125224 0.000000000
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0.166666667 0.481125224 0.102242373
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0.166666667 0.481125224 0.204484747
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0.166666667 0.481125224 -0.306727120
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0.333333333 0.577350269 0.000000000
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0.333333333 0.577350269 0.102242373
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0.333333333 0.577350269 0.204484747
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0.333333333 0.577350269 -0.306727120
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