DATASET 1 -- 9
a0 = 7.5323909483511 [Bohr] = 3.98596961387263 [Angstrom]
Emin = -3574.58001772059 [eV]
B = 177.307024161185 [GPa]
DATASET 10 -- 19
a0 = 7.53357884227272 [Bohr] = 3.98659822026182 [Angstrom]
Emin = -3574.5800592618 [eV]
B11 = 126.731671475652 [eV]
C11 = 320.626887681826 [GPa]
Compute B12
B12 = 41.7582963902598 [eV]
C12 = 105.647092400865 [GPa]

B11-B12 = 81.7753050280732 [eV]

B44 = 49.2408864348646 [eV]


B1xx = -185.347187551195 [eV/Angstrom^2]
B1yy = -3.28092949275457 [eV/Angstrom^2]
B4yz = -14.5501738943852 [eV/Angstrom^2]
P_k1 = -267.98013991724 [eV/Angstrom^6]
P_k2 = 197.500718362573 [eV/Angstrom^6]
P_k3 = 830.199979293529 [eV/Angstrom^6]
P_k4 = 641.968099408642 [eV/Angstrom^8]
P_alpha = 78.9866142426818 [eV/Angstrom^4]
P_gamma = -115.484148812672 [eV/Angstrom^4]
#kappa = -1.51821042113588 [eV/Angstrom^2]





  
/home/t-nissie/abinit/BaTiO3-phonon/BaTiO3-phonon-62-WuCohenGGA-0.0GPa-8x8x8-ecut60-dilatmx1.2-5.7.3-SR11000/force-constant-matrix-ecut60-ecutsm0/perovskite-Gamma.out
  Effective charges, in cartesian coordinates,
  (from electric field response) 
   if specified in the inputs, asr has been imposed
     j1       j2             matrix element
  dir pert dir pert     real part    imaginary part
                      :
   1    1   3    7         0.0000000000         0.0000000000
   2    1   3    7         0.0000000000         0.0000000000
   3    1   3    7         2.7419582957         0.0000000000
   1    2   3    7         0.0000000000         0.0000000000
   2    2   3    7         0.0000000000         0.0000000000
   3    2   3    7         7.4934093087         0.0000000000
   1    3   3    7         0.0000000000         0.0000000000
   2    3   3    7         0.0000000000         0.0000000000
   3    3   3    7        -2.1492074350         0.0000000000
   1    4   3    7         0.0000000000         0.0000000000
   2    4   3    7         0.0000000000         0.0000000000
   3    4   3    7        -2.1492074350         0.0000000000
   1    5   3    7         0.0000000000         0.0000000000
   2    5   3    7         0.0000000000         0.0000000000
   3    5   3    7        -5.9318277473         0.0000000000

0.166**2   +   0.770**2 +   2*0.202**2 +  0.546**2 = 1.00018

Z_star = 10.33 =
 2.7419582957 *  0.166 +
 7.4934093087 *  0.770 +
-2.1492074350 * -0.202 +
-2.1492074350 * -0.202 +
-5.9318277473 * -0.546

force-constant-matrix-ecut60-ecutsm0-rfasr1
neutralized
Z_star = 10.33 =
    2.740933 *  0.166 +
    7.492384 *  0.770 +
   -2.150232 * -0.202 +
   -2.150232 * -0.202 +
   -5.932853 * -0.546




mass_amu = 38.24 = 137.327*0.166**2 + 47.867*0.770**2 + 15.9994*(2*0.202**2 +0.546**2)

  
appb02 229% ./diagonalize15x15 < perovskite-Gamma_o_DS3_DDB 
acell =    3.98596   3.98596   3.98596 [Angstrom]
eigenvalues [eV/Angstrom^2] and eigenvectors of the matrix of interatomic force constants (IFCs)
 1  -3.812330     0.001 -0.000  0.166     0.005 -0.000  0.770    -0.004  0.000 -0.202    -0.001  0.000 -0.202    -0.001  0.000 -0.546
 2  -3.812330     0.166 -0.000 -0.001     0.770 -0.000 -0.005    -0.546  0.000  0.001    -0.202  0.000  0.001    -0.202  0.000  0.004
 3  -3.812320     0.000  0.166  0.000     0.000  0.770  0.000    -0.000 -0.202 -0.000    -0.000 -0.546 -0.000    -0.000 -0.202 -0.000
 4   0.179744    -0.000  0.459 -0.000    -0.000  0.448 -0.000    -0.000  0.443 -0.000    -0.000  0.442 -0.000    -0.000  0.443 -0.000
 5   0.179753     0.005  0.000  0.459     0.005  0.000  0.448     0.005  0.000  0.443     0.005  0.000  0.443     0.005  0.000  0.442
 6   0.179753    -0.459 -0.000  0.005    -0.448 -0.000  0.005    -0.442 -0.000  0.005    -0.443 -0.000  0.005    -0.443 -0.000  0.005
 7   4.818055     0.000  0.000  0.000     0.000  0.000  0.000    -0.000 -0.000  0.707     0.000 -0.000 -0.707    -0.000  0.000  0.000
 8   4.818055     0.000 -0.000 -0.000     0.000 -0.000  0.000     0.000  0.000  0.000    -0.707  0.000 -0.000     0.707 -0.000  0.000
 9   4.818055    -0.000 -0.000 -0.000    -0.000 -0.000  0.000     0.000  0.707  0.000     0.000  0.000 -0.000    -0.000 -0.707  0.000
10   8.165232     0.003 -0.000 -0.852    -0.001  0.000  0.319     0.000  0.000  0.293    -0.001 -0.000  0.293    -0.001  0.000 -0.027
11   8.165232    -0.852  0.000 -0.003     0.319 -0.000  0.001    -0.027 -0.000  0.001     0.293  0.000  0.001     0.293 -0.000 -0.000
12   8.165234     0.000  0.852 -0.000    -0.000 -0.319  0.000     0.000 -0.293  0.000    -0.000  0.027  0.000    -0.000 -0.293 -0.000
13  13.740829     0.000  0.190 -0.000    -0.000 -0.325  0.000    -0.000  0.420 -0.000     0.000 -0.711 -0.000     0.000  0.420  0.000
14  13.740832    -0.190  0.000 -0.004     0.325 -0.000  0.007     0.711  0.000 -0.010    -0.420 -0.000 -0.010    -0.420  0.000  0.016
15  13.740832     0.004 -0.000 -0.190    -0.007  0.000  0.325    -0.016 -0.000 -0.420     0.010  0.000 -0.420     0.010 -0.000  0.711

appb02 233% ./diagonalize15x15 < perovskite-X_o_DS1_DDB 
acell =    3.98596   3.98596   3.98596 [Angstrom]
eigenvalues [eV/Angstrom^2] and eigenvectors of the matrix of interatomic force constants (IFCs)
 1  -2.844890    -0.000 -0.000  0.000    -0.000 -0.808 -0.000    -0.000 -0.000  0.000    -0.000  0.540  0.000    -0.000  0.237  0.000
 2  -2.844881    -0.000 -0.000 -0.000    -0.000  0.000 -0.808    -0.000 -0.000  0.000     0.000 -0.000  0.237    -0.000 -0.000  0.540
 3   3.293016     0.000 -0.000  0.000     0.000 -0.000 -0.501     0.000 -0.000 -0.000    -0.000 -0.000 -0.759     0.000 -0.000 -0.415
 4   3.293026    -0.000  0.000 -0.000    -0.000  0.501 -0.000     0.000  0.000  0.000     0.000  0.415 -0.000    -0.000  0.759 -0.000
 5   5.647355    -0.000 -0.064  0.832    -0.000  0.000  0.000    -0.000 -0.042  0.550    -0.000 -0.000  0.000    -0.000  0.000  0.000
 6   5.647355    -0.000 -0.832 -0.064     0.000  0.000  0.000    -0.000 -0.550 -0.042     0.000 -0.000  0.000     0.000  0.000 -0.000
 7   6.306471    -0.000  0.000  0.000    -0.000 -0.000  0.000    -0.000 -0.000  0.000    -0.707 -0.000  0.000     0.707  0.000  0.000
 8   6.422750     0.000 -0.000 -0.000    -0.377  0.000 -0.000     0.000  0.000  0.000    -0.655  0.000 -0.000    -0.655 -0.000 -0.000
 9   7.106444     0.000  0.007 -0.552     0.000  0.000 -0.000     0.000 -0.010  0.834     0.000  0.000 -0.000     0.000 -0.000 -0.000
10   7.106444     0.000  0.552  0.007    -0.000  0.000  0.000     0.000 -0.834 -0.010    -0.000 -0.000  0.000    -0.000  0.000 -0.000
11  10.605361    -0.922  0.000  0.000    -0.000 -0.000 -0.000    -0.388 -0.000 -0.000    -0.000 -0.000  0.000    -0.000  0.000 -0.000
12  11.865325    -0.000 -0.000  0.000     0.000  0.311  0.000    -0.000 -0.000 -0.000    -0.000  0.732 -0.000     0.000 -0.606  0.000
13  11.865326    -0.000  0.000 -0.000    -0.000 -0.000  0.311    -0.000 -0.000  0.000     0.000 -0.000 -0.606    -0.000  0.000  0.732
14  27.604766    -0.388 -0.000  0.000    -0.000 -0.000 -0.000     0.922  0.000  0.000     0.000  0.000 -0.000     0.000 -0.000  0.000
15  34.256065    -0.000 -0.000  0.000    -0.926 -0.000  0.000    -0.000 -0.000 -0.000     0.266  0.000  0.000     0.266 -0.000 -0.000

appb02 234% ./diagonalize15x15 < perovskite-M_o_DS1_DDB
acell =    3.98596   3.98596   3.98596 [Angstrom]
eigenvalues [eV/Angstrom^2] and eigenvectors of the matrix of interatomic force constants (IFCs)
 1  -2.285745    -0.000  0.000  0.000     0.000 -0.000  0.885     0.000  0.000 -0.000     0.000  0.000 -0.000    -0.000 -0.000 -0.466
 2   2.701916    -0.000  0.000  0.000     0.000 -0.000 -0.000    -0.000 -0.707 -0.000     0.707 -0.000  0.000    -0.000 -0.000  0.000
 3   4.181197     0.000  0.563 -0.000     0.398  0.000 -0.000     0.000  0.000 -0.000    -0.000 -0.000  0.000     0.724  0.000  0.000
 4   4.181213    -0.563  0.000  0.000     0.000 -0.398 -0.000    -0.000  0.000 -0.000    -0.000  0.000  0.000     0.000 -0.724  0.000
 5   5.930853    -0.000 -0.000 -1.000    -0.000 -0.000  0.000    -0.000  0.000  0.000     0.000 -0.000  0.000     0.000 -0.000 -0.000
 6   7.209251    -0.726  0.000 -0.000     0.000 -0.181  0.000    -0.000 -0.000 -0.000    -0.000  0.000  0.000    -0.000  0.664  0.000
 7   7.209255     0.000  0.726 -0.000     0.181  0.000  0.000     0.000  0.000 -0.000    -0.000 -0.000  0.000    -0.664 -0.000  0.000
 8   7.259426     0.000  0.000  0.000     0.000  0.000 -0.000     0.000 -0.000  0.705     0.000 -0.000  0.709    -0.000 -0.000 -0.000
 9   7.259426    -0.000  0.000  0.000     0.000 -0.000 -0.000     0.000 -0.000  0.709     0.000 -0.000 -0.705    -0.000  0.000 -0.000
10   8.728420     0.000 -0.000 -0.000    -0.000  0.000  0.466     0.000  0.000  0.000     0.000 -0.000  0.000     0.000  0.000  0.885
11   9.261847    -0.000 -0.000 -0.000    -0.000 -0.000 -0.000     0.707 -0.000 -0.000    -0.000 -0.707  0.000     0.000  0.000 -0.000
12  12.688868    -0.000  0.000  0.000     0.000  0.000 -0.000     0.000  0.707  0.000     0.707 -0.000  0.000    -0.000 -0.000 -0.000
13  29.698188    -0.000  0.000 -0.000    -0.000  0.000 -0.000     0.707 -0.000  0.000     0.000  0.707  0.000     0.000 -0.000  0.000
14  32.665709    -0.395 -0.000  0.000     0.000  0.899  0.000    -0.000 -0.000 -0.000    -0.000 -0.000 -0.000    -0.000 -0.187  0.000
15  32.665721     0.000 -0.395  0.000     0.899 -0.000  0.000     0.000 -0.000 -0.000    -0.000  0.000 -0.000    -0.187  0.000  0.000

appb02 235% ./diagonalize15x15 < perovskite-R_o_DS1_DDB
acell =    3.98596   3.98596   3.98596 [Angstrom]
eigenvalues [eV/Angstrom^2] and eigenvectors of the matrix of interatomic force constants (IFCs)
 1   2.094246     0.000 -0.000 -0.000     0.000 -0.000  0.000    -0.000 -0.500 -0.460     0.500  0.000  0.196     0.460 -0.196  0.000
 2   2.094246    -0.000 -0.000  0.000    -0.000  0.000 -0.000     0.000 -0.000  0.278     0.000 -0.000  0.650    -0.278 -0.650 -0.000
 3   2.094246    -0.000 -0.000  0.000     0.000 -0.000 -0.000     0.000 -0.500  0.460     0.500 -0.000 -0.197    -0.460  0.197  0.000
 4   7.635658    -0.000 -0.000 -0.000    -0.000  0.000  0.000    -0.740  0.000  0.000     0.000  0.071 -0.000     0.000 -0.000  0.669
 5   7.635658    -0.000 -0.000 -0.000     0.000  0.000  0.000    -0.345  0.000  0.000     0.000  0.813 -0.000     0.000 -0.000 -0.468
 6   8.895905    -0.000  0.000  0.978    -0.000  0.000  0.000     0.000  0.146  0.000     0.146  0.000 -0.000     0.000 -0.000  0.000
 7   8.895914     0.700 -0.683  0.000     0.000  0.000  0.000    -0.000  0.000 -0.102     0.000 -0.000  0.105    -0.102  0.105 -0.000
 8   8.895914    -0.683 -0.700 -0.000     0.000 -0.000 -0.000     0.000 -0.000 -0.105    -0.000  0.000 -0.102    -0.105 -0.102  0.000
 9  10.557109     0.147 -0.146  0.000     0.000  0.000  0.000    -0.000 -0.000  0.488    -0.000 -0.000 -0.490     0.488 -0.490 -0.000
10  10.557109     0.146  0.147  0.000    -0.000  0.000  0.000    -0.000 -0.000 -0.490    -0.000 -0.000 -0.488    -0.490 -0.488 -0.000
11  10.557118     0.000 -0.000 -0.207     0.000  0.000  0.000     0.000  0.692  0.000     0.692 -0.000 -0.000     0.000 -0.000 -0.000
12  27.741413     0.000 -0.000 -0.000    -0.707 -0.500 -0.500     0.000  0.000  0.000     0.000  0.000 -0.000     0.000 -0.000  0.000
13  27.741413     0.000 -0.000  0.000    -0.001 -0.707  0.707     0.000  0.000  0.000     0.000  0.000  0.000     0.000 -0.000  0.000
14  27.741413    -0.000 -0.000 -0.000    -0.707  0.500  0.500     0.000  0.000  0.000     0.000 -0.000  0.000     0.000  0.000 -0.000
15  32.573120    -0.000  0.000  0.000    -0.000 -0.000 -0.000    -0.577 -0.000 -0.000    -0.000 -0.577  0.000    -0.000  0.000 -0.577

appb02 236% ./diagonalize15x15 < perovskite-Sigma_o_DS1_DDB
acell =    3.98596   3.98596   3.98596 [Angstrom]
 1  -2.839858    0.00 0.00 -0.00 0.00  0.11-0.00    0.00 0.00  0.00-0.00  0.00 0.83   -0.00-0.00 -0.00-0.00 -0.09-0.09   -0.00-0.00 -0.00-0.00 -0.09-0.09    0.00-0.00  0.00-0.00 -0.00-0.51
 2   1.994966    0.34 0.00 -0.34 0.00 -0.00-0.00    0.00 0.28 -0.00-0.28  0.00-0.00    0.15 0.15 -0.28-0.28 -0.00-0.00    0.28 0.28 -0.15-0.15 -0.00-0.00   -0.00 0.32 -0.00-0.32  0.00-0.00
 3   2.828540   -0.00 0.00 -0.00 0.00 -0.44 0.00    0.00 0.00 -0.00 0.00 -0.00-0.38   -0.00-0.00  0.00 0.00 -0.33-0.33   -0.00-0.00  0.00 0.00 -0.33-0.33   -0.00-0.00 -0.00 0.00 -0.00-0.46
 4   3.849726    0.35 0.00 -0.35 0.00  0.00 0.00    0.00 0.29 -0.00-0.29 -0.00 0.00   -0.20-0.20  0.32 0.32  0.00 0.00   -0.32-0.32  0.20 0.20  0.00 0.00   -0.00 0.12 -0.00-0.12 -0.00 0.00
 5   4.930208   -0.21 0.00  0.21 0.00  0.00-0.00    0.00-0.13  0.00 0.13  0.00-0.00    0.20 0.20  0.21 0.21 -0.00-0.00   -0.21-0.21 -0.20-0.20 -0.00-0.00   -0.00 0.52  0.00-0.52  0.00-0.00
 6   5.203297   -0.08 0.00 -0.08 0.00  0.00 0.00   -0.00-0.25 -0.00-0.25 -0.00-0.00   -0.11-0.11 -0.05-0.05 -0.00-0.00   -0.05-0.05 -0.11-0.11 -0.00-0.00   -0.00-0.63 -0.00-0.63  0.00-0.00
 7   6.142422    0.00 0.00 -0.00 0.00  0.00-0.00    0.00 0.00  0.00 0.00 -0.00-0.00   -0.00-0.00 -0.00-0.00 -0.59-0.40   -0.00-0.00  0.00 0.00  0.59 0.40   -0.00-0.00  0.00 0.00 -0.00-0.00
 8   7.000273   -0.00 0.00 -0.00 0.00 -0.89-0.00    0.00 0.00 -0.00 0.00 -0.00 0.26   -0.00-0.00  0.00 0.00  0.19 0.19    0.00 0.00 -0.00-0.00  0.19 0.19   -0.00-0.00 -0.00-0.00 -0.00 0.09
 9   7.184468    0.67-0.00  0.67-0.00 -0.00-0.00   -0.00-0.21 -0.00-0.21 -0.00 0.00    0.05 0.05  0.04 0.04  0.00 0.00    0.04 0.04  0.05 0.05  0.00 0.00   -0.00-0.03 -0.00-0.03  0.00 0.00
10   8.237461   -0.01 0.00 -0.01 0.00  0.00 0.00    0.00 0.20  0.00 0.20  0.00-0.00    0.07 0.07  0.46 0.46 -0.00-0.00    0.46 0.46  0.07 0.07 -0.00-0.00   -0.00-0.17 -0.00-0.17 -0.00 0.00
11  10.064120   -0.33 0.00  0.33-0.00 -0.00 0.00   -0.00 0.14 -0.00-0.14 -0.00-0.00   -0.35-0.35 -0.15-0.15  0.00 0.00    0.15 0.15  0.35 0.35  0.00 0.00    0.00 0.29 -0.00-0.29  0.00-0.00
12  12.050401    0.00 0.00  0.00 0.00 -0.10-0.00    0.00-0.00  0.00-0.00 -0.00 0.32   -0.00-0.00 -0.00-0.00 -0.31-0.31   -0.00-0.00  0.00 0.00 -0.31-0.31   -0.00 0.00  0.00-0.00 -0.00 0.72
13  18.583901    0.05 0.00  0.05-0.00  0.00 0.00    0.00 0.32  0.00 0.32  0.00-0.00    0.37 0.37 -0.17-0.17  0.00 0.00   -0.17-0.17  0.37 0.37  0.00 0.00   -0.00-0.24 -0.00-0.24  0.00-0.00
14  19.658994    0.33 0.00 -0.33 0.00  0.00-0.00   -0.00-0.54  0.00 0.54  0.00-0.00   -0.17-0.17 -0.07-0.07  0.00 0.00    0.07 0.07  0.17 0.17  0.00 0.00    0.00 0.17 -0.00-0.17  0.00-0.00
15  40.181463   -0.21-0.00 -0.21 0.00 -0.00-0.00    0.00-0.50  0.00-0.50  0.00 0.00    0.30 0.30  0.08 0.08 -0.00-0.00    0.08 0.08  0.30 0.30 -0.00-0.00    0.00 0.10 -0.00 0.10 -0.00 0.00


***** NO PROBLEM FROZEN PHONON CALCULATION *****
appb02 261% pwd
/home/t-nissie/abinit/BaTiO3-phonon/BaTiO3-phonon-62-WuCohenGGA-0.0GPa-8x8x8-ecut60-dilatmx1.2-5.7.3-SR11000
appb02 262% ~/f/loto/feram/trunk/x86_64-Linux-gfortran-4.3.3-appb-0.08.03-2009-07-23/src/frozen_phonon_Gamma
a0 =   3.9859580 [Angstrom]
eigenvalues [eV/Angstrom^2] and eigenvectors of force_constant_matrix
1  -3.982367   0.1648   0.7726  -0.2003  -0.2003  -0.5438
2   0.058552   0.4511   0.4482   0.4458   0.4458   0.4451
3   4.682338  -0.0000   0.0000   0.7071  -0.7071   0.0000
4   8.125787   0.8555  -0.3118  -0.2915  -0.2915   0.0309
5  13.605841  -0.1936   0.3240  -0.4197  -0.4197   0.7108
appb02 263% ~/f/loto/feram/trunk/x86_64-Linux-gfortran-4.3.3-appb-0.08.03-2009-07-23/src/frozen_phonon_X 
acell =   7.9719160  3.9859580  3.9859580 [Angstrom]
 13.1657474  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 -6.0752944  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 -0.0000000  6.0978288  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 -0.6711337  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
  0.0000000  0.0000000  6.0978139  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 -0.6711237  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
  0.0000000  0.0000000  0.0000000 29.8727076  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 -6.9649016  0.0000000  0.0000000 -6.9649016  0.0000000  0.0000000
  0.0000000  0.0000000  0.0000000  0.0000000 -0.1132184  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  4.6253477  0.0000000  0.0000000 -0.4438221  0.0000000
  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 -0.1132983  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 -0.4438247  0.0000000  0.0000000  4.6253986
 -6.0752943  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 24.8730645  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
  0.0000000 -0.6710479  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  6.5142755  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
  0.0000000  0.0000000 -0.6710446  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  6.5142766  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
  0.0000000  0.0000000  0.0000000 -7.0228727  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  8.0804589  0.0000000  0.0000000  1.9425220  0.0000000  0.0000000
  0.0000000  0.0000000  0.0000000  0.0000000  4.6286993  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  5.9521120  0.0000000 -0.0000000 -4.5892607  0.0000000
  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 -0.4427370  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  5.9446470  0.0000000  0.0000000 -4.5892632
  0.0000000  0.0000000  0.0000000 -7.0228401  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.9425035  0.0000000  0.0000000  8.0804276  0.0000000  0.0000000
  0.0000000  0.0000000  0.0000000  0.0000000 -0.4425560  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 -4.5894383  0.0000000  0.0000000  5.9447324  0.0000000
  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  4.6286519  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 -4.5893421  0.0000000  0.0000000  5.9522352
eigenvalues [eV/Angstrom^2] and eigenvectors of force_constant_matrix
 1  -3.047067     0.000  0.000  0.000     0.000 -0.811 -0.000     0.000 -0.000  0.000    -0.000  0.536  0.000     0.000  0.234  0.000
 2  -3.046954     0.000  0.000  0.000     0.000 -0.000  0.811     0.000 -0.000  0.000     0.000  0.000 -0.234     0.000  0.000 -0.536
 3   3.120540     0.000 -0.000  0.000     0.000 -0.000  0.497     0.000  0.000  0.000     0.000 -0.000  0.760     0.000 -0.000  0.420
 4   3.120682     0.000 -0.000 -0.000    -0.000  0.497  0.000     0.000 -0.000 -0.000    -0.000  0.420  0.000    -0.000  0.760  0.000
 5   5.603435     0.000 -0.000  0.805     0.000  0.000 -0.000     0.000 -0.000  0.593     0.000 -0.000  0.000     0.000 -0.000 -0.000
 6   5.603441     0.000 -0.805 -0.000     0.000 -0.000 -0.000     0.000 -0.593 -0.000    -0.000 -0.000  0.000     0.000 -0.000 -0.000
 7   5.907020     0.000  0.000 -0.000     0.383  0.000 -0.000     0.000  0.000 -0.000     0.653 -0.000 -0.000     0.653  0.000  0.000
 8   6.137940     0.000  0.000  0.000    -0.000  0.000 -0.000     0.000  0.000 -0.000    -0.707 -0.000 -0.000     0.707 -0.000 -0.000
 9   7.008655    -0.000 -0.000 -0.593    -0.000 -0.000 -0.000    -0.000  0.000  0.805    -0.000 -0.000  0.000    -0.000 -0.000 -0.000
10   7.008663     0.000  0.593 -0.000    -0.000  0.000  0.000     0.000 -0.805  0.000    -0.000 -0.000  0.000     0.000  0.000  0.000
11  10.582907    -0.920  0.000  0.000     0.000  0.000  0.000    -0.391  0.000  0.000     0.000  0.000  0.000     0.000  0.000  0.000
12  11.709998     0.000 -0.000 -0.000    -0.000  0.000  0.309     0.000  0.000 -0.000     0.000  0.000 -0.607    -0.000 -0.000  0.732
13  11.710010     0.000 -0.000  0.000     0.000 -0.309  0.000     0.000  0.000  0.000    -0.000 -0.732 -0.000    -0.000  0.607  0.000
14  27.455905     0.391  0.000  0.000     0.000  0.000  0.000    -0.920  0.000  0.000     0.000  0.000  0.000     0.000  0.000  0.000
15  33.988635     0.000 -0.000  0.000    -0.924 -0.000 -0.000     0.000  0.000  0.000     0.271 -0.000  0.000     0.271  0.000 -0.000
appb02 264% 


appb02 370% ./eigenvalues2j eigenvalues2j.in
eigenvalues2j.F: 43: BEGIN: Version 0.08.03
  eigenvalues2j.F: 61: FILENAME: eigenvalues2j.in
  param_module.F:105: BEGIN: read_Param().
    DDB_a = -3.812330
    DDB_b = 34.256065
    DDB_c = -2.844881
    DDB_d = -2.285745
    DDB_e = 32.665721
    DDB_f = 27.741413
    DDB_g =  0.0
    a0          = 3.98596961387263
    Z_star      = 10.33
    epsilon_inf = 6.8691464565
  param_module.F:256: END:   read_Param().
  param_module.F:262: BEGIN: make_Param().
  param_module.F:275: END:   make_Param().
       j_1 =    8.1460516421 [eV/Angstrom^2] =    0.0838298622 [Hartree/Bohr^2]
       j_2 =   -1.1290411983 [eV/Angstrom^2] =   -0.0116188029 [Hartree/Bohr^2]
       j_3 =    0.6894579816 [eV/Angstrom^2] =    0.0070951143 [Hartree/Bohr^2]
       j_4 =   -0.6113408159 [eV/Angstrom^2] =   -0.0062912216 [Hartree/Bohr^2]
       j_5 =    0.0000000000 [eV/Angstrom^2] =    0.0000000000 [Hartree/Bohr^2]
       j_6 =    0.2768966803 [eV/Angstrom^2] =    0.0028495045 [Hartree/Bohr^2]
       j_7 =    0.0000000000 [eV/Angstrom^2] =    0.0000000000 [Hartree/Bohr^2]
  P_kappa2 =    8.1460516421 [eV/Angstrom^2] =    0.0838298622 [Hartree/Bohr^2]
  j =  -2.08403 -1.12904  0.68946 -0.61134  0.00000  0.27690  0.00000    [eV/Angstrom^2]
  a0          =   3.98597    [Angstrom]
  Z_star      =  10.33000
  epsilon_inf =   6.86915
eigenvalues2j.F:126: END
appb02 371% 
