
 BerkeleyGW trunk revision 7003
 Epsilon code, Real version, run on 20-Apr-2016 at 01:32:44 +0000

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|_______/ \.__./[_]  [__|  \_] \.__./[___]\.__./  \  /   \.____./    \/  \/    
                                                  / /                          
                                                 /_/                           
--------------------------------------------------------------------------------
 Please cite the following papers when using results from BerkeleyGW:

 Jack Deslippe, Georgy Samsonidze, David A. Strubbe, Manish Jain, Marvin L.
 Cohen, and Steven G. Louie, "BerkeleyGW: A Massively Parallel Computer Package
 for the Calculation of the Quasiparticle and Optical Properties of Materials
 and Nanostructures," Comput. Phys. Commun. 183, 1269 (2012)

 Mark S. Hybertsen and Steven G. Louie, "Electron correlation in semiconductors
 and insulators: Band gaps and quasiparticle energies," Phys. Rev. B 34, 5390
 (1986)

 Michael Rohlfing and Steven G. Louie, "Electron-hole excitations and optical
 spectra from first principles," Phys. Rev. B 62, 4927 (2000)
--------------------------------------------------------------------------------

 Running MPI version (parallel)
 Running with 1 MPI task(s)
 Using OpenMP. Number of threads per MPI task: 1

 Compilation flags:
 - Compiler: GNU
 - Para. flags: MPI, OMP
 - Math  flags: USESCALAPACK, UNPACKED, USEFFTW3, HDF5
 - Debug flags: 

 We will start a new calculation from scratch.

 Experimental Features:
  - FFTs Optimization Level:  0
  - Frequency groups:     1
  - Use HDF5 Parallel IO:     F


 We`ll perform a uniform sampling of the full BZ.

 Computing the static inverse dielectric matrix

 We are using matrix communication scheme

 We are not communicating

 We are using no truncation

 Reading header of WFN
 Highest occupied band (unshifted grid) = 4
 Valence max    (unshifted grid) = 9.838781 eV
 Conduction min (unshifted grid) = 11.463552 eV
 Middle energy  (unshifted grid) = 10.651167 eV
 Fermi  energy  (unshifted grid) = 10.651167 eV

 Reading header of WFNq
 Highest occupied band (shifted grid) = 4

 Cutoff of the dielectric matrix (Ry): 7.00
 Total number of bands in the calculation: 30
 Number of fully occupied valence bands: 4
 Number of partially occ. conduction bands: 0
 Monkhorst-Pack q-grid for epsilon(q): 5 5 5

 Running with 1 valence pools
 Number of conduction bands per processor: 26
 Number of valence bands per processor: 4

 Memory available:    6225.8 MB per PE
 Memory required for execution:   36.9 MB per PE
 Memory required for vcoul:    0.0 MB per PE

 Number of electrons per unit cell (from ifmax) = 8.000000
 Number of electrons per unit cell (from occupations) = 8.000000
 Plasma Frequency = 1.220148 Ry


 Started reading wavefunctions (WFN) with 570 state(s) at 01:32:44.
 [ 01:32:44 |   0% ] state   1 / 570.
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 [ 01:32:44 | 100% ] state 570 / 570, remaining: 0 s.
 Finished reading wavefunctions (WFN) at 01:32:44.
 Elapsed time: 0 s.

 Initializing eps0mat.h5
 Initializing epsmat.h5
 Screened Coulomb cutoff: 7.000 Ry
 Total number of bands: 30
 Number of q-points: 10

 Scissors parameters
 Valence:    es =   0.0000 eV, e0 =   0.0000 eV, edel =   0.0000
 Conduction: es =   0.0000 eV, e0 =   0.0000 eV, edel =   0.0000
 Q0 and |Q0| =  0.000000  0.000000  0.001000  0.001061
 Q  and |Q|  =  0.000000  0.000000  0.200000  0.212115
 Q  and |Q|  =  0.000000  0.000000  0.400000  0.424231
 Q  and |Q|  =  0.000000  0.200000  0.200000  0.244930
 Q  and |Q|  =  0.000000  0.200000  0.400000  0.406170
 Q  and |Q|  =  0.000000  0.200000  0.600000  0.599953
 Q  and |Q|  =  0.000000  0.200000  0.800000  0.803056
 Q  and |Q|  =  0.000000  0.400000  0.400000  0.489860
 Q  and |Q|  =  0.000000  0.400000  0.600000  0.636346
 Q  and |Q|  =  0.200000  0.400000  0.600000  0.547680

 You have a slightly shifted q0 vector and a semiconductor.
 So reading from WFNq.
 Reading header of WFNq
 Highest occupied band (shifted grid) = 4

 Started reading wavefunctions (WFNq) with 440 state(s) at 01:32:44.
 [ 01:32:44 |   0% ] state   1 / 440.
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 [ 01:32:44 |  80% ] state 352 / 440, remaining: 0 s.
 [ 01:32:44 |  90% ] state 396 / 440, remaining: 0 s.
 [ 01:32:44 | 100% ] state 440 / 440, remaining: 0 s.
 Finished reading wavefunctions (WFNq) at 01:32:44.
 Elapsed time: 0 s.


 Crystal k+q WFs read from WFNq
 Number of k-points in the full BZ of WFN (nfk): 500

================================================================================
 01:32:44   Dealing with q =  0.000000  0.000000  0.001000                1 / 10
================================================================================

 This is the special q->0 point.
 Rank of the polarizability matrix (nmtx): 65

 BLACS processor grid:   1 x   1; BLOCKSIZE =   32

 Number of k-points in the irreducible BZ(q) (nrk): 110

 Started calculation of matrix elements with 440 transition(s) at 01:32:44.
 [ 01:32:44 |   0% ] transition   1 / 440.
 [ 01:32:44 |   0% ] transition   3 / 440, remaining: 1 s.
 [ 01:32:44 |  10% ] transition  44 / 440, remaining: 1 s.
 [ 01:32:44 |  20% ] transition  88 / 440, remaining: 1 s.
 [ 01:32:44 |  30% ] transition 132 / 440, remaining: 1 s.
 [ 01:32:44 |  40% ] transition 176 / 440, remaining: 1 s.
 [ 01:32:45 |  50% ] transition 220 / 440, remaining: 1 s.
 [ 01:32:45 |  60% ] transition 264 / 440, remaining: 1 s.
 [ 01:32:45 |  70% ] transition 308 / 440, remaining: 0 s.
 [ 01:32:45 |  80% ] transition 352 / 440, remaining: 0 s.
 [ 01:32:45 |  90% ] transition 396 / 440, remaining: 0 s.
 [ 01:32:45 | 100% ] transition 440 / 440, remaining: 0 s.
 Finished calculation of matrix elements at 01:32:45.
 Elapsed time: 1 s.

 Allocating Convergence Arrays of Dim          26

 Started building polarizability matrix with 1 processor(s) at 01:32:45.
 [ 01:32:45 |   0% ] processor 1 / 1.
 Finished building polarizability matrix at 01:32:45.
 Elapsed time: 0 s.

 q-pt      1: Head of Epsilon         =    1.085704311302178E+001
 q-pt      1: Epsilon(2,2)            =    1.681599124802346E+000
 q-pt      1: Head of Epsilon Inverse =    1.030209208781276E-001
 q-pt      1: Epsilon Inverse(2,2)    =    6.190970371429745E-001

 For q0 points, you should check the symmetry (eps(G,G') = eps*(-G,-G')) by
 using the eps0sym code. Wavefunction convergence, as well as a finite q-shift
 may cause this property of eps(G,G') to be broken.

 Writing dielectric matrix to file
 Ok

================================================================================
 01:32:45   Dealing with q =  0.000000  0.000000  0.200000                2 / 10
================================================================================

 This is a regular non-zero q-point.
 Rank of the polarizability matrix (nmtx): 77

 BLACS processor grid:   1 x   1; BLOCKSIZE =   32

 Number of k-points in the irreducible BZ(q) (nrk): 110

 Started calculation of matrix elements with 440 transition(s) at 01:32:45.
 [ 01:32:45 |   0% ] transition   1 / 440.
 [ 01:32:45 |   0% ] transition   3 / 440, remaining: 1 s.
 [ 01:32:45 |  10% ] transition  44 / 440, remaining: 1 s.
 [ 01:32:46 |  20% ] transition  88 / 440, remaining: 1 s.
 [ 01:32:46 |  30% ] transition 132 / 440, remaining: 1 s.
 [ 01:32:46 |  40% ] transition 176 / 440, remaining: 1 s.
 [ 01:32:46 |  50% ] transition 220 / 440, remaining: 1 s.
 [ 01:32:46 |  60% ] transition 264 / 440, remaining: 1 s.
 [ 01:32:46 |  70% ] transition 308 / 440, remaining: 0 s.
 [ 01:32:46 |  80% ] transition 352 / 440, remaining: 0 s.
 [ 01:32:47 |  90% ] transition 396 / 440, remaining: 0 s.
 [ 01:32:47 | 100% ] transition 440 / 440, remaining: 0 s.
 Finished calculation of matrix elements at 01:32:47.
 Elapsed time: 1 s.

 Allocating Convergence Arrays of Dim          26

 Started building polarizability matrix with 1 processor(s) at 01:32:47.
 [ 01:32:47 |   0% ] processor 1 / 1.
 Finished building polarizability matrix at 01:32:47.
 Elapsed time: 0 s.

 q-pt      2: Head of Epsilon         =    6.970039340135359E+000
 q-pt      2: Epsilon(2,2)            =    2.028323712796233E+000
 q-pt      2: Head of Epsilon Inverse =    1.617716716434269E-001
 q-pt      2: Epsilon Inverse(2,2)    =    5.376360036570081E-001

 Writing dielectric matrix to file
 Ok

================================================================================
 01:32:47   Dealing with q =  0.000000  0.000000  0.400000                3 / 10
================================================================================

 This is a regular non-zero q-point.
 Rank of the polarizability matrix (nmtx): 77

 BLACS processor grid:   1 x   1; BLOCKSIZE =   32

 Number of k-points in the irreducible BZ(q) (nrk): 110

 Started calculation of matrix elements with 440 transition(s) at 01:32:47.
 [ 01:32:47 |   0% ] transition   1 / 440.
 [ 01:32:47 |   0% ] transition   3 / 440, remaining: 1 s.
 [ 01:32:47 |  10% ] transition  44 / 440, remaining: 1 s.
 [ 01:32:47 |  20% ] transition  88 / 440, remaining: 1 s.
 [ 01:32:47 |  30% ] transition 132 / 440, remaining: 1 s.
 [ 01:32:47 |  40% ] transition 176 / 440, remaining: 1 s.
 [ 01:32:47 |  50% ] transition 220 / 440, remaining: 1 s.
 [ 01:32:48 |  60% ] transition 264 / 440, remaining: 1 s.
 [ 01:32:48 |  70% ] transition 308 / 440, remaining: 0 s.
 [ 01:32:48 |  80% ] transition 352 / 440, remaining: 0 s.
 [ 01:32:48 |  90% ] transition 396 / 440, remaining: 0 s.
 [ 01:32:48 | 100% ] transition 440 / 440, remaining: 0 s.
 Finished calculation of matrix elements at 01:32:48.
 Elapsed time: 1 s.

 Allocating Convergence Arrays of Dim          26

 Started building polarizability matrix with 1 processor(s) at 01:32:48.
 [ 01:32:48 |   0% ] processor 1 / 1.
 Finished building polarizability matrix at 01:32:48.
 Elapsed time: 0 s.

 q-pt      3: Head of Epsilon         =    3.883417444674602E+000
 q-pt      3: Epsilon(2,2)            =    2.615337688176687E+000
 q-pt      3: Head of Epsilon Inverse =    2.893548125302115E-001
 q-pt      3: Epsilon Inverse(2,2)    =    4.240246688362896E-001

 Writing dielectric matrix to file
 Ok

================================================================================
 01:32:48   Dealing with q =  0.000000  0.200000  0.200000                4 / 10
================================================================================

 This is a regular non-zero q-point.
 Rank of the polarizability matrix (nmtx): 84

 BLACS processor grid:   1 x   1; BLOCKSIZE =   32

 Number of k-points in the irreducible BZ(q) (nrk): 75

 Started calculation of matrix elements with 300 transition(s) at 01:32:48.
 [ 01:32:48 |   0% ] transition   1 / 300.
 [ 01:32:48 |   1% ] transition   3 / 300, remaining: 1 s.
 [ 01:32:48 |  10% ] transition  30 / 300, remaining: 1 s.
 [ 01:32:48 |  20% ] transition  60 / 300, remaining: 1 s.
 [ 01:32:48 |  30% ] transition  90 / 300, remaining: 1 s.
 [ 01:32:49 |  40% ] transition 120 / 300, remaining: 1 s.
 [ 01:32:49 |  50% ] transition 150 / 300, remaining: 1 s.
 [ 01:32:49 |  60% ] transition 180 / 300, remaining: 0 s.
 [ 01:32:49 |  70% ] transition 210 / 300, remaining: 0 s.
 [ 01:32:49 |  80% ] transition 240 / 300, remaining: 0 s.
 [ 01:32:49 |  90% ] transition 270 / 300, remaining: 0 s.
 [ 01:32:49 | 100% ] transition 300 / 300, remaining: 0 s.
 Finished calculation of matrix elements at 01:32:49.
 Elapsed time: 1 s.

 Allocating Convergence Arrays of Dim          26

 Started building polarizability matrix with 1 processor(s) at 01:32:49.
 [ 01:32:49 |   0% ] processor 1 / 1.
 Finished building polarizability matrix at 01:32:49.
 Elapsed time: 0 s.

 q-pt      4: Head of Epsilon         =    6.831825187986511E+000
 q-pt      4: Epsilon(2,2)            =    1.890134852266610E+000
 q-pt      4: Head of Epsilon Inverse =    1.597772531318203E-001
 q-pt      4: Epsilon Inverse(2,2)    =    5.538107211176900E-001

 Writing dielectric matrix to file
 Ok

================================================================================
 01:32:49   Dealing with q =  0.000000  0.200000  0.400000                5 / 10
================================================================================

 This is a regular non-zero q-point.
 Rank of the polarizability matrix (nmtx): 85

 BLACS processor grid:   1 x   1; BLOCKSIZE =   32

 Number of k-points in the irreducible BZ(q) (nrk): 275

 Started calculation of matrix elements with 1100 transition(s) at 01:32:49.
 [ 01:32:49 |   0% ] transition    1 / 1100.
 [ 01:32:49 |   0% ] transition    3 / 1100, remaining: 3 s.
 [ 01:32:50 |  10% ] transition  110 / 1100, remaining: 3 s.
 [ 01:32:50 |  20% ] transition  220 / 1100, remaining: 3 s.
 [ 01:32:50 |  30% ] transition  330 / 1100, remaining: 3 s.
 [ 01:32:51 |  40% ] transition  440 / 1100, remaining: 2 s.
 [ 01:32:51 |  50% ] transition  550 / 1100, remaining: 2 s.
 [ 01:32:52 |  60% ] transition  660 / 1100, remaining: 2 s.
 [ 01:32:52 |  70% ] transition  770 / 1100, remaining: 1 s.
 [ 01:32:52 |  80% ] transition  880 / 1100, remaining: 1 s.
 [ 01:32:53 |  90% ] transition  990 / 1100, remaining: 0 s.
 [ 01:32:53 | 100% ] transition 1100 / 1100, remaining: 0 s.
 Finished calculation of matrix elements at 01:32:53.
 Elapsed time: 4 s.

 Allocating Convergence Arrays of Dim          26

 Started building polarizability matrix with 1 processor(s) at 01:32:53.
 [ 01:32:53 |   0% ] processor 1 / 1.
 Finished building polarizability matrix at 01:32:53.
 Elapsed time: 0 s.

 q-pt      5: Head of Epsilon         =    4.483741653913221E+000
 q-pt      5: Epsilon(2,2)            =    2.388788230447067E+000
 q-pt      5: Head of Epsilon Inverse =    2.417649808323619E-001
 q-pt      5: Epsilon Inverse(2,2)    =    4.466724459967219E-001

 Writing dielectric matrix to file
 Ok

================================================================================
 01:32:53   Dealing with q =  0.000000  0.200000  0.600000                6 / 10
================================================================================

 This is a regular non-zero q-point.
 Rank of the polarizability matrix (nmtx): 88

 BLACS processor grid:   1 x   1; BLOCKSIZE =   32

 Number of k-points in the irreducible BZ(q) (nrk): 275

 Started calculation of matrix elements with 1100 transition(s) at 01:32:53.
 [ 01:32:53 |   0% ] transition    1 / 1100.
 [ 01:32:53 |   0% ] transition    3 / 1100, remaining: 4 s.
 [ 01:32:54 |  10% ] transition  110 / 1100, remaining: 4 s.
 [ 01:32:54 |  20% ] transition  220 / 1100, remaining: 3 s.
 [ 01:32:54 |  30% ] transition  330 / 1100, remaining: 3 s.
 [ 01:32:55 |  40% ] transition  440 / 1100, remaining: 2 s.
 [ 01:32:55 |  50% ] transition  550 / 1100, remaining: 2 s.
 [ 01:32:56 |  60% ] transition  660 / 1100, remaining: 2 s.
 [ 01:32:56 |  70% ] transition  770 / 1100, remaining: 1 s.
 [ 01:32:56 |  80% ] transition  880 / 1100, remaining: 1 s.
 [ 01:32:57 |  90% ] transition  990 / 1100, remaining: 0 s.
 [ 01:32:57 | 100% ] transition 1100 / 1100, remaining: 0 s.
 Finished calculation of matrix elements at 01:32:57.
 Elapsed time: 4 s.

 Allocating Convergence Arrays of Dim          26

 Started building polarizability matrix with 1 processor(s) at 01:32:57.
 [ 01:32:57 |   0% ] processor 1 / 1.
 Finished building polarizability matrix at 01:32:57.
 Elapsed time: 0 s.

 q-pt      6: Head of Epsilon         =    3.351933372397007E+000
 q-pt      6: Epsilon(2,2)            =    2.963222369603947E+000
 q-pt      6: Head of Epsilon Inverse =    3.229985856541103E-001
 q-pt      6: Epsilon Inverse(2,2)    =    3.631411084489847E-001

 Writing dielectric matrix to file
 Ok

================================================================================
 01:32:57   Dealing with q =  0.000000  0.200000  0.800000                7 / 10
================================================================================

 This is a regular non-zero q-point.
 Rank of the polarizability matrix (nmtx): 79

 BLACS processor grid:   1 x   1; BLOCKSIZE =   32

 Number of k-points in the irreducible BZ(q) (nrk): 140

 Started calculation of matrix elements with 560 transition(s) at 01:32:57.
 [ 01:32:57 |   0% ] transition   1 / 560.
 [ 01:32:57 |   0% ] transition   3 / 560, remaining: 2 s.
 [ 01:32:57 |  10% ] transition  56 / 560, remaining: 2 s.
 [ 01:32:58 |  20% ] transition 112 / 560, remaining: 1 s.
 [ 01:32:58 |  30% ] transition 168 / 560, remaining: 1 s.
 [ 01:32:58 |  40% ] transition 224 / 560, remaining: 1 s.
 [ 01:32:58 |  50% ] transition 280 / 560, remaining: 1 s.
 [ 01:32:58 |  60% ] transition 336 / 560, remaining: 1 s.
 [ 01:32:58 |  70% ] transition 392 / 560, remaining: 1 s.
 [ 01:32:59 |  80% ] transition 448 / 560, remaining: 0 s.
 [ 01:32:59 |  90% ] transition 504 / 560, remaining: 0 s.
 [ 01:32:59 | 100% ] transition 560 / 560, remaining: 0 s.
 Finished calculation of matrix elements at 01:32:59.
 Elapsed time: 2 s.

 Allocating Convergence Arrays of Dim          26

 Started building polarizability matrix with 1 processor(s) at 01:32:59.
 [ 01:32:59 |   0% ] processor 1 / 1.
 Finished building polarizability matrix at 01:32:59.
 Elapsed time: 0 s.

 q-pt      7: Head of Epsilon         =    5.175970781866964E+000
 q-pt      7: Epsilon(2,2)            =    2.197225703631092E+000
 q-pt      7: Head of Epsilon Inverse =    2.119275203700419E-001
 q-pt      7: Epsilon Inverse(2,2)    =    4.821870576319469E-001

 Writing dielectric matrix to file
 Ok

================================================================================
 01:32:59   Dealing with q =  0.000000  0.400000  0.400000                8 / 10
================================================================================

 This is a regular non-zero q-point.
 Rank of the polarizability matrix (nmtx): 88

 BLACS processor grid:   1 x   1; BLOCKSIZE =   32

 Number of k-points in the irreducible BZ(q) (nrk): 75

 Started calculation of matrix elements with 300 transition(s) at 01:32:59.
 [ 01:32:59 |   0% ] transition   1 / 300.
 [ 01:32:59 |   1% ] transition   3 / 300, remaining: 1 s.
 [ 01:32:59 |  10% ] transition  30 / 300, remaining: 1 s.
 [ 01:32:59 |  20% ] transition  60 / 300, remaining: 1 s.
 [ 01:32:59 |  30% ] transition  90 / 300, remaining: 1 s.
 [ 01:32:59 |  40% ] transition 120 / 300, remaining: 1 s.
 [ 01:33:00 |  50% ] transition 150 / 300, remaining: 1 s.
 [ 01:33:00 |  60% ] transition 180 / 300, remaining: 0 s.
 [ 01:33:00 |  70% ] transition 210 / 300, remaining: 0 s.
 [ 01:33:00 |  80% ] transition 240 / 300, remaining: 0 s.
 [ 01:33:00 |  90% ] transition 270 / 300, remaining: 0 s.
 [ 01:33:00 | 100% ] transition 300 / 300, remaining: 0 s.
 Finished calculation of matrix elements at 01:33:00.
 Elapsed time: 1 s.

 Allocating Convergence Arrays of Dim          26

 Started building polarizability matrix with 1 processor(s) at 01:33:00.
 [ 01:33:00 |   0% ] processor 1 / 1.
 Finished building polarizability matrix at 01:33:00.
 Elapsed time: 0 s.

 q-pt      8: Head of Epsilon         =    3.703377788268942E+000
 q-pt      8: Epsilon(2,2)            =    2.415375266205594E+000
 q-pt      8: Head of Epsilon Inverse =    2.874447908267122E-001
 q-pt      8: Epsilon Inverse(2,2)    =    4.357955695942737E-001

 Writing dielectric matrix to file
 Ok

================================================================================
 01:33:00   Dealing with q =  0.000000  0.400000  0.600000                9 / 10
================================================================================

 This is a regular non-zero q-point.
 Rank of the polarizability matrix (nmtx): 83

 BLACS processor grid:   1 x   1; BLOCKSIZE =   32

 Number of k-points in the irreducible BZ(q) (nrk): 140

 Started calculation of matrix elements with 560 transition(s) at 01:33:00.
 [ 01:33:00 |   0% ] transition   1 / 560.
 [ 01:33:00 |   0% ] transition   3 / 560, remaining: 2 s.
 [ 01:33:00 |  10% ] transition  56 / 560, remaining: 2 s.
 [ 01:33:01 |  20% ] transition 112 / 560, remaining: 2 s.
 [ 01:33:01 |  30% ] transition 168 / 560, remaining: 1 s.
 [ 01:33:01 |  40% ] transition 224 / 560, remaining: 1 s.
 [ 01:33:01 |  50% ] transition 280 / 560, remaining: 1 s.
 [ 01:33:01 |  60% ] transition 336 / 560, remaining: 1 s.
 [ 01:33:02 |  70% ] transition 392 / 560, remaining: 1 s.
 [ 01:33:02 |  80% ] transition 448 / 560, remaining: 0 s.
 [ 01:33:02 |  90% ] transition 504 / 560, remaining: 0 s.
 [ 01:33:02 | 100% ] transition 560 / 560, remaining: 0 s.
 Finished calculation of matrix elements at 01:33:02.
 Elapsed time: 2 s.

 Allocating Convergence Arrays of Dim          26

 Started building polarizability matrix with 1 processor(s) at 01:33:02.
 [ 01:33:02 |   0% ] processor 1 / 1.
 Finished building polarizability matrix at 01:33:02.
 Elapsed time: 0 s.

 q-pt      9: Head of Epsilon         =    2.858539944250436E+000
 q-pt      9: Epsilon(2,2)            =    2.858539944250438E+000
 q-pt      9: Head of Epsilon Inverse =    3.716130891157916E-001
 q-pt      9: Epsilon Inverse(2,2)    =    3.716130891157915E-001

 Writing dielectric matrix to file
 Ok

================================================================================
 01:33:02   Dealing with q =  0.200000  0.400000  0.600000               10 / 10
================================================================================

 This is a regular non-zero q-point.
 Rank of the polarizability matrix (nmtx): 86

 BLACS processor grid:   1 x   1; BLOCKSIZE =   32

 Number of k-points in the irreducible BZ(q) (nrk): 250

 Started calculation of matrix elements with 1000 transition(s) at 01:33:02.
 [ 01:33:02 |   0% ] transition    1 / 1000.
 [ 01:33:02 |   0% ] transition    3 / 1000, remaining: 4 s.
 [ 01:33:03 |  10% ] transition  100 / 1000, remaining: 3 s.
 [ 01:33:03 |  20% ] transition  200 / 1000, remaining: 3 s.
 [ 01:33:03 |  30% ] transition  300 / 1000, remaining: 2 s.
 [ 01:33:04 |  40% ] transition  400 / 1000, remaining: 2 s.
 [ 01:33:04 |  50% ] transition  500 / 1000, remaining: 2 s.
 [ 01:33:04 |  60% ] transition  600 / 1000, remaining: 1 s.
 [ 01:33:05 |  70% ] transition  700 / 1000, remaining: 1 s.
 [ 01:33:05 |  80% ] transition  800 / 1000, remaining: 1 s.
 [ 01:33:05 |  90% ] transition  900 / 1000, remaining: 0 s.
 [ 01:33:06 | 100% ] transition 1000 / 1000, remaining: 0 s.
 Finished calculation of matrix elements at 01:33:06.
 Elapsed time: 4 s.

 Allocating Convergence Arrays of Dim          26

 Started building polarizability matrix with 1 processor(s) at 01:33:06.
 [ 01:33:06 |   0% ] processor 1 / 1.
 Finished building polarizability matrix at 01:33:06.
 Elapsed time: 0 s.

 q-pt     10: Head of Epsilon         =    3.400401040006990E+000
 q-pt     10: Epsilon(2,2)            =    2.508969953388100E+000
 q-pt     10: Head of Epsilon Inverse =    3.150313299900686E-001
 q-pt     10: Epsilon Inverse(2,2)    =    4.237538543383585E-001

 Writing dielectric matrix to file
 Ok


                              CPU (s)        WALL (s)           #

FULLBZ:                         0.003           0.003           1
IRRBZ:                          0.004           0.007          10
SUBGRP:                         0.000           0.000          10
RQSTAR:                         0.002           0.000        1560
GMAP:                           0.116           0.097        1560
GVEC:                           0.001           0.000          10
INPUT:                          0.020           0.020           1
INPUT_Q:                        0.005           0.005           1
INPUT(Q) I/O                    0.006           0.008        1160
INPUT(Q) COMM                   0.001           0.000        1160
GENWF:                          0.696           0.718        6240
GENWF (VAL):                    0.402           0.431        6240
GENWF (COND):                   0.275           0.274        1560
GENWF (C-Ekin):                 0.013           0.015        1560
GENWF (C-Sort):                 0.135           0.137        1560
JOB SETUP:                      0.000           0.001           1
Q LOOP SETUP:                   0.000           0.000          10
INIT CUTOFF:                    0.000           0.000          10
INIT SCALAPACK:                 0.001           0.001          10
INIT ARRAYS:                    0.005           0.007          10
MTXEL:                         20.417          20.431        6240
MTXEL (DENOM):                  0.102           0.101      162240
MTXEL (FFT):                   20.411          20.424        6240
MTXEL EXP(DENOM):               0.000           0.000           0
MTXEL EXP (FFT):                0.000           0.000           0
CHI SUM (TOTAL):                0.536           0.537          10
CHI SUM (COMM):                 0.000           0.000          10
CHI SUM (PREP):                 0.176           0.178          10
CHI SUM (ARRAY ALLOC):          0.000           0.000           0
CHI SUM (ROW):                  0.000           0.000           0
CHI SUM (COLUMN):               0.000           0.000           0
CHI SUM (dGEMM):                0.355           0.354          10
CHI SUM (HT):                   0.000           0.000           0
EPSINV (TOTAL):                 0.022           0.025          10
EPSINV (VCOUL):                 0.000           0.002          10
EPSINV (I/O)                    0.015           0.017          10
EPSINV (INVERT)                 0.003           0.003          10
EPS (I/O) COMM                  0.003           0.002          10
EPS (I/O) IO                    0.001           0.003          10
CONVERGE TESTS:                 0.010           0.010          10
OPT FFT:                        0.000           0.000           0
OPT FFT (INIT):                 0.000           0.000           0
OPT FFT (COMM_FFT):             0.000           0.000           0
OPT FFT (FFT):                  0.000           0.000           0
FFT ZERO                        1.034           0.981      168480
FFT PUT                         0.993           0.965      168480
FFT PLAN                       10.884          10.921      330720
FFT EXEC                        4.330           4.406      330720
FFT MLTPLY                      1.420           1.396      162240

TOTAL:                         21.864          21.879


