
     Program PHONON    v.1.3.0  starts ...
     Today is 11Feb2004 at 12:59:50 

     Ultrasoft (Vanderbilt) Pseudopotentials

     nbndx  =    20  nbnd   =    20  natomwfc =     8  npwx   =    3479
     nelec  =    8.00 nkb   =     8  ngl    =     368

     phonons of Nafcc                                                           

     crystal is                     

     bravais-lattice index     =            2
     lattice parameter (a_0)   =      20.8200  a.u.
     unit-cell volume          =    2256.2238 (a.u.)^3
     number of atoms/cell      =            8
     number of atomic types    =            1
     kinetic-energy cut-off    =      20.0000  Ry
     charge density cut-off    =     100.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4

     celldm(1)=   20.82000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

...
     Atoms inside the unit cell: 

   Cartesian axes

     site n.  atom      mass           positions (a_0 units)
        1        Na  22.9898   tau( 1) = (    0.50000    0.24631    0.49781  )
        2        Na  22.9898   tau( 2) = (    0.50000    0.75369    0.49781  )
        3        Na  22.9898   tau( 3) = (    0.63919    0.50000    0.25393  )
        4        Na  22.9898   tau( 4) = (    0.36081    0.50000    0.25393  )
        5        Na  22.9898   tau( 5) = (    0.24631    0.50000    0.50219  )
        6        Na  22.9898   tau( 6) = (    0.75369    0.50000    0.50219  )
        7        Na  22.9898   tau( 7) = (    0.50000    0.36081    0.74607  )
        8        Na  22.9898   tau( 8) = (    0.50000    0.63919    0.74607  )
...

     G cutoff = 1097.9984  (  38157 G-vectors)     FFT grid: ( 48, 48, 48)
     G cutoff =  878.3987  (  27317 G-vectors)  smooth grid: ( 45, 45, 45)
     number of k points=  258  gaussian broad. (ryd)=  0.0300     ngauss =   0
                       cart. coord. in units 2pi/a_0
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0165289
        k(    2) = (   0.0000000   0.0500000   0.0000000), wk =   0.0110193
...        
        k(  257) = (  -0.0375000   0.0000000   0.9875000), wk =   0.0055096
        k(  258) = (   0.0000000   0.0000000   1.0000000), wk =   0.0055096

     pseudo 1 is Na         zval =  1.0   lmax= 0   lloc= 0
     (in numerical form: 169 grid points, xmin =  0.00, dx = 0.0000)


     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     omega( 1) =      -2.071940 [THz] =     -69.112930 [cm-1]
     omega( 2) =      -2.061348 [THz] =     -68.759630 [cm-1]
     omega( 3) =      -2.061348 [THz] =     -68.759630 [cm-1]
     omega( 4) =      -1.858894 [THz] =     -62.006450 [cm-1]
     omega( 5) =      -1.739614 [THz] =     -58.027661 [cm-1]
     omega( 6) =      -1.680024 [THz] =     -56.039952 [cm-1]
     omega( 7) =      -1.680024 [THz] =     -56.039952 [cm-1]
     omega( 8) =      -1.598527 [THz] =     -53.321488 [cm-1]
     omega( 9) =      -0.104547 [THz] =      -3.487323 [cm-1]
     omega(10) =      -0.104547 [THz] =      -3.487323 [cm-1]
     omega(11) =      -0.012761 [THz] =      -0.425660 [cm-1]
     omega(12) =       0.726902 [THz] =      24.246987 [cm-1]
     omega(13) =       1.618400 [THz] =      53.984370 [cm-1]
     omega(14) =       1.644466 [THz] =      54.853861 [cm-1]
     omega(15) =       1.920976 [THz] =      64.077279 [cm-1]
     omega(16) =       1.920976 [THz] =      64.077279 [cm-1]
     omega(17) =       3.667910 [THz] =     122.349128 [cm-1]
     omega(18) =       3.667910 [THz] =     122.349128 [cm-1]
     omega(19) =       4.166043 [THz] =     138.965165 [cm-1]
     omega(20) =       4.214460 [THz] =     140.580186 [cm-1]
     omega(21) =       4.570184 [THz] =     152.445928 [cm-1]
     omega(22) =       4.570184 [THz] =     152.445928 [cm-1]
     omega(23) =       5.695427 [THz] =     189.980273 [cm-1]
     omega(24) =       5.827720 [THz] =     194.393098 [cm-1]
 **************************************************************************
 
