mirror of https://github.com/abinit/abinit.git
148 lines
7.5 KiB
Plaintext
148 lines
7.5 KiB
Plaintext
#
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# ABINIT package: E-PH band structure file. Hartree units
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#
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# Phonon frequencies, ph linewidths and lambda calculated on 41 q-points
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# ==== Description of the q-path: ====
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# Number of points: 41 , ndivsmall: 20
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# Boundaries and corresponding index in the k-points array:
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# 1 [ 0.0000E+00, 0.0000E+00, 0.0000E+00]
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# 21 [ 5.0000E-01, 0.0000E+00, 0.0000E+00]
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# 41 [ 5.0000E-01, 5.0000E-01, 0.0000E+00]
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#
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#
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#
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# Total DOS at Fermi level 0.438367E+01
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# The DOS at Fermi level for spin 1 is 0.438367E+01
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#
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# phonon mode [1] q-index omega gamma lambda
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#
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1 0.000000E+00 0.000000E+00 0.000000E+00
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2 -4.472631E-05 -1.179824E-07 -2.141281E+00
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3 -8.576019E-05 -4.417631E-07 -2.180723E+00
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4 -1.194294E-04 -8.876041E-07 -2.259328E+00
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5 -1.420101E-04 -1.336995E-06 -2.406989E+00
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6 -1.493564E-04 -1.663358E-06 -2.707202E+00
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7 -1.354134E-04 -1.760775E-06 -3.486287E+00
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8 -8.272489E-05 -1.568422E-06 -8.320950E+00
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9 1.109806E-04 -1.085275E-06 -3.199102E+00
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10 1.948118E-04 -3.718338E-07 -3.557137E-01
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11 2.602749E-04 4.616238E-07 2.474036E-01
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12 3.141424E-04 1.277742E-06 4.700808E-01
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13 3.572967E-04 1.940863E-06 5.519751E-01
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14 3.899025E-04 2.345633E-06 5.601839E-01
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15 4.123995E-04 2.439227E-06 5.207130E-01
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16 4.258067E-04 2.232333E-06 4.470092E-01
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17 4.317851E-04 1.796495E-06 3.498430E-01
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18 4.325401E-04 1.248344E-06 2.422501E-01
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19 4.305639E-04 7.241268E-07 1.418149E-01
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20 4.282189E-04 3.500255E-07 6.930276E-02
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21 4.272260E-04 2.147038E-07 4.270778E-02
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22 4.292894E-04 3.407361E-07 6.712748E-02
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23 4.349018E-04 6.911624E-07 1.326723E-01
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24 4.425330E-04 1.189409E-06 2.205069E-01
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25 4.501995E-04 1.727854E-06 3.095134E-01
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26 4.560375E-04 2.193074E-06 3.828552E-01
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27 4.587793E-04 2.492745E-06 4.299844E-01
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28 4.580714E-04 2.578074E-06 4.460787E-01
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29 4.546336E-04 2.456549E-06 4.315040E-01
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30 4.502435E-04 2.191942E-06 3.925696E-01
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31 4.474897E-04 1.891301E-06 3.429076E-01
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32 4.492186E-04 1.681557E-06 3.025369E-01
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33 4.577102E-04 1.680740E-06 2.912740E-01
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34 4.738599E-04 1.970077E-06 3.185414E-01
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35 4.967949E-04 2.573124E-06 3.785201E-01
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36 5.241283E-04 3.446689E-06 4.555221E-01
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37 5.526284E-04 4.485803E-06 5.332812E-01
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38 5.789242E-04 5.541966E-06 6.003477E-01
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39 6.000262E-04 6.451075E-06 6.505403E-01
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40 6.136411E-04 7.065291E-06 6.812142E-01
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41 6.183407E-04 7.282220E-06 6.914974E-01
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#
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# phonon mode [2] q-index omega gamma lambda
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#
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1 0.000000E+00 0.000000E+00 0.000000E+00
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2 -4.472631E-05 -1.179824E-07 -2.141281E+00
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3 -8.576019E-05 -4.417631E-07 -2.180723E+00
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4 -1.194294E-04 -8.876041E-07 -2.259328E+00
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5 -1.420101E-04 -1.336995E-06 -2.406989E+00
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6 -1.493564E-04 -1.663358E-06 -2.707202E+00
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7 -1.354134E-04 -1.760775E-06 -3.486287E+00
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8 -8.272489E-05 -1.568422E-06 -8.320950E+00
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9 1.109806E-04 -1.085275E-06 -3.199102E+00
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10 1.948118E-04 -3.718338E-07 -3.557137E-01
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11 2.602749E-04 4.616238E-07 2.474036E-01
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12 3.141424E-04 1.277742E-06 4.700808E-01
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13 3.572967E-04 1.940863E-06 5.519751E-01
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14 3.899025E-04 2.345633E-06 5.601839E-01
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15 4.123995E-04 2.439227E-06 5.207130E-01
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16 4.258067E-04 2.232333E-06 4.470092E-01
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17 4.317851E-04 1.796495E-06 3.498430E-01
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18 4.325401E-04 1.248344E-06 2.422501E-01
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19 4.305639E-04 7.241268E-07 1.418149E-01
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20 4.282189E-04 3.500255E-07 6.930276E-02
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21 4.272260E-04 2.147038E-07 4.270778E-02
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22 4.422221E-04 4.949556E-07 9.188990E-02
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23 4.832048E-04 1.296425E-06 2.015892E-01
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24 5.412283E-04 2.506766E-06 3.106957E-01
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25 6.073404E-04 3.955973E-06 3.893780E-01
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26 6.748185E-04 5.438464E-06 4.335956E-01
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27 7.392498E-04 6.737146E-06 4.475856E-01
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28 7.979730E-04 7.643794E-06 4.358279E-01
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29 8.494383E-04 7.969665E-06 4.010134E-01
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30 8.924549E-04 7.542911E-06 3.438341E-01
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31 9.250340E-04 6.216409E-06 2.637586E-01
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32 9.425305E-04 4.059612E-06 1.659114E-01
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33 9.371368E-04 2.024129E-06 8.367863E-02
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34 9.057027E-04 1.451507E-06 6.424365E-02
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35 8.563711E-04 2.065778E-06 1.022685E-01
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36 7.997507E-04 3.125971E-06 1.774427E-01
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37 7.434641E-04 4.311075E-06 2.831705E-01
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38 6.930490E-04 5.456951E-06 4.124817E-01
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39 6.530530E-04 6.417015E-06 5.462843E-01
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40 6.272630E-04 7.057268E-06 6.512080E-01
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41 6.183407E-04 7.282220E-06 6.914974E-01
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#
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# phonon mode [3] q-index omega gamma lambda
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#
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1 0.000000E+00 0.000000E+00 0.000000E+00
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2 9.243600E-05 5.430786E-08 2.307613E-01
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3 1.861023E-04 2.322759E-07 2.434913E-01
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4 2.819484E-04 5.737134E-07 2.620223E-01
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5 3.804257E-04 1.128567E-06 2.831197E-01
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6 4.813736E-04 1.936720E-06 3.034484E-01
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7 5.840159E-04 3.007462E-06 3.201350E-01
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8 6.870510E-04 4.304162E-06 3.310497E-01
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9 7.888026E-04 5.738684E-06 3.348560E-01
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10 8.874010E-04 7.177924E-06 3.309340E-01
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11 9.809668E-04 8.462158E-06 3.192677E-01
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12 1.067777E-03 9.432051E-06 3.003498E-01
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13 1.146400E-03 9.959039E-06 2.751234E-01
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14 1.215784E-03 9.972695E-06 2.449526E-01
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15 1.275302E-03 9.479000E-06 2.116018E-01
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16 1.324735E-03 8.565073E-06 1.771966E-01
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17 1.364220E-03 7.388558E-06 1.441364E-01
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18 1.394138E-03 6.153017E-06 1.149367E-01
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19 1.414995E-03 5.073588E-06 9.200003E-02
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20 1.427275E-03 4.339305E-06 7.733699E-02
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21 1.431326E-03 4.079272E-06 7.229158E-02
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22 1.430126E-03 4.337697E-06 7.700037E-02
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23 1.426315E-03 5.067633E-06 9.043919E-02
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24 1.419301E-03 6.143326E-06 1.107228E-01
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25 1.408228E-03 7.387324E-06 1.352458E-01
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26 1.392152E-03 8.611970E-06 1.613288E-01
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27 1.370246E-03 9.665635E-06 1.869027E-01
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28 1.342040E-03 1.047546E-05 2.111663E-01
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29 1.307702E-03 1.108052E-05 2.352477E-01
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30 1.268473E-03 1.165083E-05 2.628918E-01
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31 1.227511E-03 1.246655E-05 3.003848E-01
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32 1.191402E-03 1.368762E-05 3.501011E-01
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33 1.170330E-03 1.463344E-05 3.878934E-01
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34 1.169952E-03 1.421620E-05 3.770771E-01
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35 1.184563E-03 1.289807E-05 3.337266E-01
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36 1.205851E-03 1.150727E-05 2.873212E-01
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37 1.228394E-03 1.034634E-05 2.489394E-01
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38 1.248883E-03 9.473333E-06 2.205168E-01
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39 1.265077E-03 8.878517E-06 2.014136E-01
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40 1.275423E-03 8.536449E-06 1.905248E-01
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41 1.278977E-03 8.425234E-06 1.869989E-01
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