Program LD1       v.4.0    starts ...
     Today is  7May2008 at 10:47: 3 

     Parallel version (MPI)

     Number of processors in use:       1
     --------------------------- All-electron run ----------------------------

     Ar                                                                         

     atomic number is 18.00
     dft =LDA   lsd =1 sic =1 latt =0  beta=0.30 tr2=1.0E-14
     mesh =1687 r(mesh) =  99.24864 xmin = -6.00 dx = 0.00800
     1 Ry =  13.60569193 eV

     n l     nl                  e(Ry)          e(Ha)          e(eV)
     1 0     1S 1( 1.00)      -236.5834      -118.2917     -3218.8812
     2 0     2S 1( 1.00)       -23.1882       -11.5941      -315.4919
     2 1     2P 1( 3.00)       -18.8248        -9.4124      -256.1249
     3 0     3S 1( 1.00)        -2.2210        -1.1105       -30.2187
     3 1     3P 1( 3.00)        -1.1586        -0.5793       -15.7632
     1 0     1S 2( 1.00)      -236.5834      -118.2917     -3218.8812
     2 0     2S 2( 1.00)       -23.1882       -11.5941      -315.4919
     2 1     2P 2( 3.00)       -18.8248        -9.4124      -256.1249
     3 0     3S 2( 1.00)        -2.2210        -1.1105       -30.2187
     3 1     3P 2( 3.00)        -1.1586        -0.5793       -15.7632

     eps = 6.7E-15  iter = 44
 
     Etot =   -1056.854100 Ry,    -528.427050 Ha,  -14379.231304 eV
     Total magnetization:    0.00 Bohr mag. 

     Ekin =    1055.678489 Ry,     527.839244 Ha,   14363.236297 eV
     Encl =   -2512.915867 Ry,   -1256.457933 Ha,  -34189.959130 eV
     Eh   =     464.001471 Ry,     232.000735 Ha,    6313.061064 eV
     Exc  =     -63.618193 Ry,     -31.809097 Ha,    -865.569535 eV
 
     SIC information:
     Esich=     -45.328235 Ry,     -22.664118 Ha,    -616.722003 eV
     Esicxc=     40.341087 Ry,      20.170544 Ha,     548.868403 eV
     Esictot=    -4.987148 Ry,      -2.493574 Ha,     -67.853601 eV
 
     tot-Exc=   -58.631045 Ry,     -29.315522 Ha,    -797.715934 eV
     int-Exc=   -18.289958 Ry,      -9.144979 Ha,    -248.847532 eV
     int-Eh=    418.673235 Ry,     209.336618 Ha,    5696.339061 eV


     normalization and overlap integrals

     s(1S/1S) =  1.000000  <r> =   0.0861  <r2> =    0.0099  r(max) =   0.0565
     s(1S/2S) =  0.004037
     s(1S/3S) =  0.001015
     s(2S/2S) =  1.000000  <r> =   0.4182  <r2> =    0.2075  r(max) =   0.3415
     s(2S/3S) =  0.003320
     s(2P/2P) =  1.000000  <r> =   0.3763  <r2> =    0.1758  r(max) =   0.2819
     s(2P/3P) =  0.008009
     s(3S/3S) =  1.000000  <r> =   1.4177  <r2> =    2.3464  r(max) =   1.1801
     s(3P/3P) =  1.000000  <r> =   1.6636  <r2> =    3.3385  r(max) =   1.2887
     s(1S/1S) =  1.000000  <r> =   0.0861  <r2> =    0.0099  r(max) =   0.0565
     s(1S/2S) =  0.004037
     s(1S/3S) =  0.001015
     s(2S/2S) =  1.000000  <r> =   0.4182  <r2> =    0.2075  r(max) =   0.3415
     s(2S/3S) =  0.003320
     s(2P/2P) =  1.000000  <r> =   0.3763  <r2> =    0.1758  r(max) =   0.2819
     s(2P/3P) =  0.008009
     s(3S/3S) =  1.000000  <r> =   1.4177  <r2> =    2.3464  r(max) =   1.1801
     s(3P/3P) =  1.000000  <r> =   1.6636  <r2> =    3.3385  r(max) =   1.2887

     ------------------------ End of All-electron run ------------------------