1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77
|
&input
asr = 'crystal'
amass(1) = 12.01078
flfrc = 'diam.ifc'
flvec = 'diam.modes_fine'
flfrq = ''
fleig = ''
q_in_band_form = .false.
q_in_cryst_coord = .false.
loto_disable = .true.
/
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