mirror of https://gitlab.com/QEF/q-e.git
111 lines
2.9 KiB
Plaintext
111 lines
2.9 KiB
Plaintext
--
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&inputepw
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prefix = 'MgB2',
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amass(1) = 24.305,
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amass(2) = 10.811
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outdir = './'
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ep_coupling = .true.
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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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epwwrite = .true.
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epwread = .false.
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etf_mem = 1
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nbndsub = 5,
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nbndskip = 0
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wannierize = .true.
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num_iter = 500
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dis_froz_max= 8.8
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proj(1) = 'B:pz'
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proj(2) = 'f=0.5,1.0,0.5:s'
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proj(3) = 'f=0.0,0.5,0.5:s'
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proj(4) = 'f=0.5,0.5,0.5:s'
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iverbosity = 2
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eps_acustic = 2.0 ! Lowest boundary for the
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ephwrite = .true. ! Writes .ephmat files used when wliasberg = .true.
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fsthick = 0.4 ! eV
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eptemp = 300 ! K
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degaussw = 0.10 ! eV
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nsmear = 1
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delta_smear = 0.04 ! eV
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degaussq = 0.5 ! meV
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nqstep = 500
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eliashberg = .true.
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laniso = .true.
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limag = .true.
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lpade = .true.
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conv_thr_iaxis = 1.0d-4
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wscut = 1.0 ! eV Upper limit over frequency integration/summation in the Elisashberg eq
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nstemp = 1
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tempsmin = 15.00
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tempsmax = 60.00
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nsiter = 500
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muc = 0.16
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dvscf_dir = '../phonons/save'
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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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mp_mesh_k = .true.
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nkf1 = 20
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nkf2 = 20
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nkf3 = 20
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nqf1 = 20
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nqf2 = 20
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nqf3 = 20
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/
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28 cartesian
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0.000000000 0.000000000 0.000000000 0.004629630
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0.000000000 0.000000000 0.145933920 0.009259259
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0.000000000 0.000000000 0.291867841 0.009259259
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0.000000000 0.000000000 -0.437801761 0.004629630
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0.000000000 0.192450090 0.000000000 0.027777778
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0.000000000 0.192450090 0.145933920 0.055555556
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0.000000000 0.192450090 0.291867841 0.055555556
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0.000000000 0.192450090 -0.437801761 0.027777778
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0.000000000 0.384900179 0.000000000 0.027777778
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0.000000000 0.384900179 0.145933920 0.055555556
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0.000000000 0.384900179 0.291867841 0.055555556
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0.000000000 0.384900179 -0.437801761 0.027777778
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0.000000000 -0.577350269 0.000000000 0.013888889
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0.000000000 -0.577350269 0.145933920 0.027777778
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0.000000000 -0.577350269 0.291867841 0.027777778
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0.000000000 -0.577350269 -0.437801761 0.013888889
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0.166666667 0.288675135 0.000000000 0.027777778
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0.166666667 0.288675135 0.145933920 0.055555556
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0.166666667 0.288675135 0.291867841 0.055555556
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0.166666667 0.288675135 -0.437801761 0.027777778
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0.166666667 0.481125224 0.000000000 0.055555556
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0.166666667 0.481125224 0.145933920 0.111111111
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0.166666667 0.481125224 0.291867841 0.111111111
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0.166666667 0.481125224 -0.437801761 0.055555556
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0.333333333 0.577350269 0.000000000 0.009259259
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0.333333333 0.577350269 0.145933920 0.018518519
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0.333333333 0.577350269 0.291867841 0.018518519
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0.333333333 0.577350269 -0.437801761 0.009259259
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