+---------------------------------------------------+
| |
| WANNIER90 |
| |
+---------------------------------------------------+
| |
| Welcome to the Maximally-Localized |
| Generalized Wannier Functions code |
| http://www.wannier.org |
| |
| Wannier90 Authors: |
| Arash A. Mostofi (Imperial College London) |
| Jonathan R. Yates (University of Oxford) |
| Young-Su Lee (KIST, S. Korea) |
| |
| Wannier90 Contributors: |
| Matthew Shelley (Imperial College London) |
| Nicolas Poilvert (MIT) |
| |
| Wannier77 Authors: |
| Nicola Marzari (University of Oxford) |
| Ivo Souza (Universidad del Pais Vasco) |
| David Vanderbilt (Rutgers University) |
| |
| Please cite |
| |
| [ref] "Wannier90: A Tool for Obtaining Maximally |
| Localised Wannier Functions" |
| A. A. Mostofi, J. R. Yates, Y.-S. Lee, |
| I. Souza, D. Vanderbilt and N. Marzari |
| Comput. Phys. Commun. 178, 685 (2008) |
| |
| in any publications arising from the use of |
| this code. For the method please cite |
| |
| [ref] "Maximally Localized Generalised Wannier |
| Functions for Composite Energy Bands" |
| N. Marzari and D. Vanderbilt |
| Phys. Rev. B 56 12847 (1997) |
| |
| [ref] "Maximally Localized Wannier Functions |
| for Entangled Energy Bands" |
| I. Souza, N. Marzari and D. Vanderbilt |
| Phys. Rev. B 65 035109 (2001) |
| |
| |
| Copyright (c) 1996-2010 |
| A. A. Mostofi, J. R. Yates, Y.-S. Lee, |
| I. Souza, D. Vanderbilt and N. Marzari |
| |
| Release: 1.2 24th Jan 2010 |
| |
| This program is free software; you can |
| redistribute it and/or modify it under the terms |
| of the GNU General Public License as published by |
| the Free Software Foundation; either version 2 of |
| the License, or (at your option) any later version|
| |
| This program is distributed in the hope that it |
| will be useful, but WITHOUT ANY WARRANTY; without |
| even the implied warranty of MERCHANTABILITY or |
| FITNESS FOR A PARTICULAR PURPOSE. See the GNU |
| General Public License for more details. |
| |
| You should have received a copy of the GNU General|
| Public License along with this program; if not, |
| write to the Free Software Foundation, Inc., |
| 675 Mass Ave, Cambridge, MA 02139, USA. |
| |
+---------------------------------------------------+
| Execution started on 12Jul2012 at 11:51:11 |
+---------------------------------------------------+
------
SYSTEM
------
Lattice Vectors (Bohr)
a_1 30.000000 0.000000 0.000000
a_2 -15.000000 25.980762 0.000000
a_3 0.000000 0.000000 60.000000
Unit Cell Volume: 46765.37180 (Bohr^3)
Reciprocal-Space Vectors (Bohr^-1)
b_1 0.209440 0.120920 0.000000
b_2 0.000000 0.241840 0.000000
b_3 0.000000 0.000000 0.104720
*----------------------------------------------------------------------------*
| Site Fractional Coordinate Cartesian Coordinate (Bohr) |
+----------------------------------------------------------------------------+
| C 1 0.80962 0.57735 0.25000 | 15.62844 15.00000 15.00000 |
| C 2 0.80962 0.66529 0.25000 | 14.30941 17.28468 15.00000 |
| C 3 0.72169 0.66529 0.25000 | 11.67135 17.28468 15.00000 |
| C 4 0.63375 0.57735 0.25000 | 10.35232 15.00000 15.00000 |
| C 5 0.63375 0.48941 0.25000 | 11.67135 12.71532 15.00000 |
| C 6 0.72169 0.48941 0.25000 | 14.30941 12.71532 15.00000 |
| C 7 0.80962 0.57735 0.38333 | 15.62844 15.00000 23.00000 |
| C 8 0.80962 0.66529 0.38333 | 14.30941 17.28468 23.00000 |
| C 9 0.72169 0.66529 0.38333 | 11.67135 17.28468 23.00000 |
| C 10 0.63375 0.57735 0.38333 | 10.35232 15.00000 23.00000 |
| C 11 0.63375 0.48941 0.38333 | 11.67135 12.71532 23.00000 |
| C 12 0.72169 0.48941 0.38333 | 14.30941 12.71532 23.00000 |
| H 1 0.87784 0.57735 0.25000 | 17.67501 15.00000 15.00000 |
| H 2 0.87788 0.73351 0.25000 | 15.33364 19.05724 15.00000 |
| H 3 0.72166 0.73351 0.25000 | 10.64712 19.05724 15.00000 |
| H 4 0.56553 0.57735 0.25000 | 8.30575 15.00000 15.00000 |
| H 5 0.56550 0.42119 0.25000 | 10.64712 10.94276 15.00000 |
| H 6 0.72171 0.42119 0.25000 | 15.33364 10.94276 15.00000 |
| H 7 0.87784 0.57735 0.38333 | 17.67501 15.00000 23.00000 |
| H 8 0.87788 0.73351 0.38333 | 15.33364 19.05724 23.00000 |
| H 9 0.72166 0.73351 0.38333 | 10.64712 19.05724 23.00000 |
| H 10 0.56553 0.57735 0.38333 | 8.30575 15.00000 23.00000 |
| H 11 0.56550 0.42119 0.38333 | 10.64712 10.94276 23.00000 |
| H 12 0.72171 0.42119 0.38333 | 15.33364 10.94276 23.00000 |
*----------------------------------------------------------------------------*
-----------
PROJECTIONS
-----------
+----------------------------------------------------------------------------+
| Frac. Coord. l mr r z-axis x-axis Z/a |
+----------------------------------------------------------------------------+
| 1.28 1.17 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.28 0.92 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.53 1.17 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.45 1.26 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.45 1.26 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.20 1.01 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.45 1.01 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.45 1.01 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.13 0.86 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.36 0.86 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.59 1.09 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.13 1.09 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.36 1.32 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.59 1.32 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.45 1.26 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.45 1.26 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.20 1.01 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.20 1.01 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.28 1.17 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.28 0.92 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.53 1.17 0.47 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.20 1.01 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.45 1.01 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.45 1.01 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.13 0.86 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.36 0.86 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.59 1.09 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.13 1.09 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.36 1.32 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
| 1.59 1.32 0.72 0 1 1 0.000 0.000 1.000 1.000 0.000 0.000 1.0 |
+----------------------------------------------------------------------------+
------------
K-POINT GRID
------------
Grid size = 1 x 1 x 1 Total points = 1
*----------------------------------------------------------------------------*
| k-point Fractional Coordinate Cartesian Coordinate (Bohr^-1) |
+----------------------------------------------------------------------------+
| 1 0.00000 0.00000 0.00000 | 0.00000 0.00000 0.00000 |
*----------------------------------------------------------------------------*
*---------------------------------- MAIN ------------------------------------*
| Number of Wannier Functions : 30 |
| Number of input Bloch states : 30 |
| Output verbosity (1=low, 5=high) : 2 |
| Timing Level (1=low, 5=high) : 1 |
| Optimisation (0=memory, 3=speed) : 3 |
| Length Unit : Bohr |
| Post-processing setup (write *.nnkp) : F |
| Using Gamma-only branch of algorithms : T |
*----------------------------------------------------------------------------*
*------------------------------- WANNIERISE ---------------------------------*
| Total number of iterations : 2000 |
| Number of CG steps before reset : 5 |
| Trial step length for line search : 2.000 |
| Convergence tolerence : 0.100E-11 |
| Convergence window : 10 |
| Iterations between writing output : 100 |
| Iterations between backing up to disk : 100 |
| Write r^2_nm to file : F |
| Write xyz WF centres to file : T |
| Use guiding centre to control phases : T |
| Iterations before starting guiding centres: 0 |
| Iterations between using guiding centres : 1 |
*----------------------------------------------------------------------------*
Time to read parameters 0.006 (sec)
*---------------------------------- K-MESH ----------------------------------*
+----------------------------------------------------------------------------+
| Distance to Nearest-Neighbour Shells |
| ------------------------------------ |
| Shell Distance (Bohr^-1) Multiplicity |
| ----- ------------------ ------------ |
| 1 0.104720 2 |
| 2 0.209440 2 |
| 3 0.241840 6 |
| 4 0.263539 12 |
| 5 0.314159 2 |
| 6 0.319924 12 |
| 7 0.396463 12 |
| 8 0.418879 8 |
| 9 0.431771 12 |
| 10 0.468321 12 |
| 11 0.483680 18 |
| 12 0.494886 12 |
+----------------------------------------------------------------------------+
| The b-vectors are chosen automatically |
| Shell: 1 w_b 45.5945326 (Bohr^2) |
| Shell: 1 w_b 45.5945326 (Bohr^2) |
| Shell: 2 w_b 5.6993166 (Bohr^2) |
| The following shells are used: 1, 3 |
+----------------------------------------------------------------------------+
| Shell # Nearest-Neighbours |
| ----- -------------------- |
| 1 2 |
| 3 6 |
+----------------------------------------------------------------------------+
| Completeness relation is fully satisfied [Eq. (B1), PRB 56, 12847 (1997)] |
+----------------------------------------------------------------------------+
| b_k Vectors (Bohr^-1) and Weights (Bohr^2) |
| ------------------------------------------ |
| No. b_k(x) b_k(y) b_k(z) w_b |
| --- -------------------------------- -------- |
| 1 0.000000 0.000000 0.104720 45.594533 |
| 2 0.000000 0.000000 -0.104720 45.594533 |
| 3 0.209440 0.120920 0.000000 5.699317 |
| 4 0.209440 -0.120920 0.000000 5.699317 |
| 5 0.000000 0.241840 0.000000 5.699317 |
| 6 0.000000 -0.241840 0.000000 5.699317 |
| 7 -0.209440 0.120920 0.000000 5.699317 |
| 8 -0.209440 -0.120920 0.000000 5.699317 |
+----------------------------------------------------------------------------+
| b_k Directions (Bohr^-1) |
| ------------------------ |
| No. x y z |
| --- -------------------------------- |
| 1 0.000000 0.000000 0.104720 |
| 2 0.209440 0.120920 0.000000 |
| 3 0.209440 -0.120920 0.000000 |
| 4 0.000000 0.241840 0.000000 |
+----------------------------------------------------------------------------+
+----------------------------------------------------------------------------+
| Gamma-point: number of the b-vectors is reduced by half |
+----------------------------------------------------------------------------+
| b_k Vectors (Bohr^-1) and Weights (Bohr^2) |
| ------------------------------------------ |
| No. b_k(x) b_k(y) b_k(z) w_b |
| --- -------------------------------- -------- |
| 1 0.000000 0.000000 0.104720 91.189065 |
| 2 0.209440 0.120920 0.000000 11.398633 |
| 3 0.209440 -0.120920 0.000000 11.398633 |
| 4 0.000000 0.241840 0.000000 11.398633 |
+----------------------------------------------------------------------------+
*============================================================================*
| MEMORY ESTIMATE |
| Maximum RAM allocated during each phase of the calculation |
*============================================================================*
| Wannierise: 0.34 Mb |
| |
| N.B. by setting optimisation=0 memory usage will be reduced to: |
| Wannierise: 0.34 Mb |
| However, this will result in more i/o and slow down the calculation |
*----------------------------------------------------------------------------*
Starting a new Wannier90 calculation ...
Time to get kmesh 0.012 (sec)
Reading overlaps from benzene_s_val.mmn : Created on 3Jun2010 at 12:53:14
Reading projections from benzene_s_val.amn : Created on 3Jun2010 at 12:52:22
Time to read overlaps 0.012 (sec)
Writing checkpoint file benzene_s_val.chk... done
*------------------------------- WANNIERISE ---------------------------------*
+--------------------------------------------------------------------+<-- CONV
| Iter Delta Spread RMS Gradient Spread (Bohr^2) Time |<-- CONV
+--------------------------------------------------------------------+<-- CONV
------------------------------------------------------------------------------
Initial State
WF centre and spread 1 ( 27.990372, 43.306950, 15.001891 ) 2.22044942
WF centre and spread 2 ( 14.762893, 16.023392, 15.524730 ) 4.30653108
WF centre and spread 3 ( 29.829128, 39.919112, 23.505626 ) 2.96273453
WF centre and spread 4 ( 25.976067, 39.817740, 15.001860 ) 2.22062610
WF centre and spread 5 ( 30.004674, 39.817753, 15.001870 ) 2.22067100
WF centre and spread 6 ( 26.151588, 22.598601, 23.505624 ) 152.90227748
WF centre and spread 7 ( 26.221797, 24.681355, 14.467069 ) 154.50022563
WF centre and spread 8 ( 27.990394, 38.938467, 14.467026 ) 4.33604093
WF centre and spread 9 ( 14.758918, 16.021117, 14.467079 ) 4.33624625
WF centre and spread 10 ( 25.984600, 20.171310, 14.999373 ) 152.31406100
WF centre and spread 11 ( 29.996180, 37.491827, 14.999372 ) 2.30146759
WF centre and spread 12 ( 17.014432, 32.328245, 14.999351 ) 152.28819574
WF centre and spread 13 ( 23.966341, 40.988509, 14.999374 ) 2.30081529
WF centre and spread 14 ( 25.971183, 44.461956, 14.999371 ) 2.30148325
WF centre and spread 15 ( 30.009590, 44.461945, 14.999360 ) 2.30151662
WF centre and spread 16 ( 25.987302, 42.137278, 22.864152 ) 2.34390096
WF centre and spread 17 ( 27.990386, 38.667579, 22.864104 ) 2.34374038
WF centre and spread 18 ( 14.993453, 16.156511, 22.864144 ) 2.34391851
WF centre and spread 19 ( 27.990387, 43.104184, 23.505656 ) 2.96254706
WF centre and spread 20 ( 27.990407, 25.603811, 22.739826 ) 155.67022164
WF centre and spread 21 ( 26.217880, 42.004135, 15.524744 ) 4.30650132
WF centre and spread 22 ( 26.307263, 22.688501, 22.739891 ) 155.67033972
WF centre and spread 23 ( 27.990397, 38.933940, 15.524785 ) 4.30640708
WF centre and spread 24 ( 29.673485, 22.688483, 22.739889 ) 155.67033142
WF centre and spread 25 ( 25.977905, 20.192615, 22.948284 ) 152.35925814
WF centre and spread 26 ( 30.002872, 20.192621, 22.948298 ) 152.35923477
WF centre and spread 27 ( 31.999335, 40.972059, 22.948283 ) 2.37266016
WF centre and spread 28 ( 23.981448, 40.972051, 22.948258 ) 2.37272722
WF centre and spread 29 ( 25.992977, 44.457106, 22.948290 ) 2.37340273
WF centre and spread 30 ( 29.987782, 44.457109, 22.948289 ) 2.37339387
Sum of centres and spreads (779.711437,**********,569.995870 ) 1443.64192688
0 0.144E+04 1443.6419268760 0.08 <-- CONV
O_D= 1349.2020947 O_OD= 19.7402520 O_TOT= 1443.6419269 <-- SPRD
------------------------------------------------------------------------------
Cycle: 1
WF centre and spread 1 ( -2.009557, -8.658148, 15.002213 ) 2.18368450
WF centre and spread 2 ( -0.222224, -9.948723, 15.539584 ) 4.25721404
WF centre and spread 3 ( -0.287298,-11.976372, 23.587682 ) 4.87954517
WF centre and spread 4 ( -4.020941,-12.141753, 14.997837 ) 2.18300715
WF centre and spread 5 ( 0.001344,-12.141881, 15.002461 ) 2.18681637
WF centre and spread 6 ( -3.733466,-11.968455, 23.583111 ) 4.89877869
WF centre and spread 7 ( -3.788951, -9.953913, 14.452552 ) 4.35012521
WF centre and spread 8 ( -2.009693,-13.035398, 14.451785 ) 4.35105703
WF centre and spread 9 ( -0.227503, -9.951790, 14.449408 ) 4.31656559
WF centre and spread 10 ( -4.021563,-14.459552, 15.000321 ) 2.33267080
WF centre and spread 11 ( 0.002198,-14.459554, 14.999439 ) 2.33118718
WF centre and spread 12 ( 2.008900,-10.984265, 15.000312 ) 2.33048677
WF centre and spread 13 ( -6.028178,-10.983122, 15.000312 ) 2.32925247
WF centre and spread 14 ( -4.017039, -7.499379, 14.999461 ) 2.33082152
WF centre and spread 15 ( -0.002919, -7.499263, 15.000498 ) 2.33445510
WF centre and spread 16 ( -4.016021, -9.827402, 22.944352 ) 2.18717080
WF centre and spread 17 ( -2.007610,-13.303305, 22.943306 ) 2.19659805
WF centre and spread 18 ( 0.000121, -9.828390, 22.953343 ) 2.19226469
WF centre and spread 19 ( -2.008317, -8.957880, 23.563931 ) 4.68169862
WF centre and spread 20 ( -2.009206, -8.875402, 22.501386 ) 3.96132081
WF centre and spread 21 ( -3.798449, -9.947989, 15.539529 ) 4.22753703
WF centre and spread 22 ( -3.857403,-12.041462, 22.510162 ) 3.69794726
WF centre and spread 23 ( -2.009379,-13.046676, 15.540474 ) 4.22579904
WF centre and spread 24 ( -0.167019,-12.048112, 22.501754 ) 3.67157281
WF centre and spread 25 ( -4.016239,-14.460551, 22.988015 ) 2.33599634
WF centre and spread 26 ( -0.003795,-14.460369, 22.988700 ) 2.34149302
WF centre and spread 27 ( 2.006449,-10.977334, 22.989540 ) 2.34226270
WF centre and spread 28 ( -6.026400,-10.977743, 22.990549 ) 2.33912243
WF centre and spread 29 ( -4.021701, -7.502757, 22.990559 ) 2.33172653
WF centre and spread 30 ( 0.002679, -7.503405, 22.990798 ) 2.33222323
Sum of centres and spreads (-60.289180,**********,570.003376 ) 92.66040095
1 -0.135E+04 92.6604009504 0.08 <-- CONV
O_D= 0.0004787 O_OD= 17.9603421 O_TOT= 92.6604010 <-- SPRD
Delta: O_D= -0.1349202E+04 O_OD= -0.1779910E+01 O_TOT= -0.1350982E+04 <-- DLTA
------------------------------------------------------------------------------
<<< Delta < 1.000E-12 over 10 iterations >>>
<<< Wannierisation convergence criteria satisfied >>>
Final State
WF centre and spread 1 ( -2.009620, -8.661921, 15.000909 ) 2.18341434
WF centre and spread 2 ( -0.221731, -9.948495, 15.539783 ) 4.26948073
WF centre and spread 3 ( -0.225573,-12.010812, 23.548033 ) 4.30722005
WF centre and spread 4 ( -4.017568,-12.140093, 15.000909 ) 2.18358503
WF centre and spread 5 ( -0.001671,-12.140093, 15.000909 ) 2.18357833
WF centre and spread 6 ( -3.793664,-12.010812, 23.548037 ) 4.30722018
WF centre and spread 7 ( -3.793666, -9.950714, 14.451967 ) 4.30722043
WF centre and spread 8 ( -2.009621,-13.040948, 14.451919 ) 4.30707570
WF centre and spread 9 ( -0.225572, -9.950713, 14.451967 ) 4.30722074
WF centre and spread 10 ( -4.023444,-14.458669, 14.999735 ) 2.33106203
WF centre and spread 11 ( 0.004208,-14.458669, 14.999735 ) 2.33105763
WF centre and spread 12 ( 2.008897,-10.985490, 14.999736 ) 2.33034361
WF centre and spread 13 ( -6.028131,-10.985489, 14.999736 ) 2.33034188
WF centre and spread 14 ( -4.015258, -7.498126, 14.999735 ) 2.33107370
WF centre and spread 15 ( -0.003979, -7.498126, 14.999735 ) 2.33107682
WF centre and spread 16 ( -4.017571, -9.821437, 22.999091 ) 2.18357782
WF centre and spread 17 ( -2.009623,-13.299606, 22.999091 ) 2.18341501
WF centre and spread 18 ( -0.001670, -9.821435, 22.999091 ) 2.18358165
WF centre and spread 19 ( -2.009619, -8.920575, 23.548078 ) 4.30707494
WF centre and spread 20 ( -2.009619, -8.916136, 22.460173 ) 4.26932779
WF centre and spread 21 ( -3.797508, -9.948496, 15.539783 ) 4.26947952
WF centre and spread 22 ( -3.797506,-12.013030, 22.460213 ) 4.26947953
WF centre and spread 23 ( -2.009621,-13.045387, 15.539830 ) 4.26932769
WF centre and spread 24 ( -0.221731,-12.013030, 22.460217 ) 4.26947936
WF centre and spread 25 ( -4.015257,-14.463396, 23.000265 ) 2.33107697
WF centre and spread 26 ( -0.003979,-14.463396, 23.000265 ) 2.33107371
WF centre and spread 27 ( 2.008897,-10.976033, 23.000264 ) 2.33034312
WF centre and spread 28 ( -6.028131,-10.976033, 23.000264 ) 2.33034102
WF centre and spread 29 ( -4.023445, -7.502853, 23.000265 ) 2.33105926
WF centre and spread 30 ( 0.004208, -7.502853, 23.000265 ) 2.33106157
Sum of centres and spreads (-60.288569,**********,570.000000 ) 92.53067015
Spreads (Bohr^2) Omega I = 74.699580210
================ Omega D = 0.000461708
Omega OD = 17.830628230
Final Spread (Bohr^2) Omega Total = 92.530670147
------------------------------------------------------------------------------
Wannier centres written to file benzene_s_val_centres.xyz
vdW data written to file benzene_s_val.vdw
Time for wannierise 0.070 (sec)
Writing checkpoint file benzene_s_val.chk... done
Total Execution Time 0.200 (sec)
*===========================================================================*
| TIMING INFORMATION |
*===========================================================================*
| Tag Ncalls Time (s)|
|---------------------------------------------------------------------------|
|kmesh: get : 1 0.012|
|overlap: read : 1 0.012|
|wann: main_gamma : 1 0.070|
*---------------------------------------------------------------------------*
All done: wannier90 exiting
