----------------------------------------------------------------
  LIBERI DEMO PROGRAM
----------------------------------------------------------------
LIBERI VERSION ALPHA-090619

----------------------------------------------------------------
  TEST #1: GTO
----------------------------------------------------------------

INITIALIZING LIBERI WITH LINEAR-SBT:
  LMAX    =    15
  LMAX_GL =     8
  NGRID   =  1024
  NGL     =   100
  RMAX    =      80.0000
  SBTTYPE = LINEAR-FSBT

  INITIALIZED SUCCESSFULLY.
  MEMORY USAGE = 4218232 BYTE

INITIALIZEING LIBERI WITH LOG-SBT:
  LMAX    =    15
  LMAX_GL =     8
  NGRID   =  1024
  NGL     =   100
  RMAX    =     700.0000
  SBTTYPE = LOG-FSBT
  RHO0    =     -10.0000
  NQ      =     3

  INITIALIZED SUCCESSFULLY.
  MEMORY USAGE = 7952064 BYTE

BASIS FUNCTIONS (ssss):
  (ssss) 1 : GTO  L=0  M=0   EXPONENT=1.0  NORMALIZATION=1.0
         2 : GTO  L=0  M=0   EXPONENT=1.0  NORMALIZATION=1.0
         3 : GTO  L=0  M=0   EXPONENT=1.0  NORMALIZATION=1.0
         4 : GTO  L=0  M=0   EXPONENT=1.0  NORMALIZATION=1.0
  (pssp) 1 : GTO  L=1  M=-1  EXPONENT=1.0  NORMALIZATION=1.0
         2 : GTO  L=0  M=0   EXPONENT=1.0  NORMALIZATION=1.0
         3 : GTO  L=0  M=0   EXPONENT=1.0  NORMALIZATION=1.0
         4 : GTO  L=1  M=+1  EXPONENT=1.0  NORMALIZATION=1.0
  (dddd) 1 : GTO  L=2  M=-2  EXPONENT=0.5  NORMALIZATION=1.0
         2 : GTO  L=2  M=-1  EXPONENT=0.5  NORMALIZATION=1.0
         3 : GTO  L=2  M=+1  EXPONENT=0.5  NORMALIZATION=1.0
         4 : GTO  L=2  M=+2  EXPONENT=0.5  NORMALIZATION=1.0

CENTERS:
  1 : (  0.50000000,   0.50000000,   0.00000000)
  2 : (  0.50000000,  -0.50000000,   0.00000000)
  3 : ( -0.50000000,   0.50000000,   0.00000000)
  4 : ( -0.50000000,  -0.50000000,   0.00000000)

COMBINATION (ssss):
  LINEAR-SBT:
    INT  = 7.607755263532419e-03 + I -1.141695681152817e-06
    TIME =   0.45000000 SEC
  LOG-SBT:
    INT  = 7.608825163710950e-03 + I -1.193510686953783e-10
    TIME =   0.57000000 SEC

COMBINATION (pssp):
  LINEAR-SBT:
    INT  = 2.512574799267185e-03 + I -3.587424344436783e-09
    TIME =   0.30000000 SEC
  LOG-SBT:
    INT  = 2.512446737587977e-03 + I -4.327396770132115e-11
    TIME =   0.38000000 SEC

COMBINATION (dddd):
  LINEAR-SBT:
    INT  = -1.968645751334020e-03 + I -6.594919074051725e-09
    TIME =   0.30000000 SEC
  LOG-SBT:
    INT  = -1.967967287380329e-03 + I -9.306520398072449e-17
    TIME =   0.33000000 SEC



----------------------------------------------------------------
  TEST #2: PAO
----------------------------------------------------------------

INITIALIZING LIBERI WITH LINEAR-SBT:
  LMAX    =    15
  LMAX_GL =    10
  NGRID   =  1024
  NGL     =   100
  RMAX    =     100.0000
  SBTTYPE = LINEAR-FSBT

  INITIALIZED SUCCESSFULLY.
  MEMORY USAGE = 4218232 BYTE

INITIALIZEING LIBERI WITH LOG-SBT:
  LMAX    =    15
  LMAX_GL =    10
  NGRID   =  1024
  NGL     =   100
  RMAX    =     700.0000
  SBTTYPE = LOG-FSBT
  RHO0    =     -10.0000
  NQ      =     3

  INITIALIZED SUCCESSFULLY.
  MEMORY USAGE = 7952064 BYTE

BASIS FUNCTIONS:
  1 : FILE=./pao/H5.0.pao   NODE=0  L=0  M=0
  2 : FILE=./pao/C4.0.pao   NODE=1  L=-1  M=1
  3 : FILE=./pao/O5.0.pao   NODE=2  L=0  M=2
  4 : FILE=./pao/Fe5.5.pao   NODE=3  L=2  M=3

CENTERS:
  1 : (  0.00000000,   0.00000000,   0.00000000)
  2 : (  0.00000000,   0.50000000,   0.00000000)
  3 : (  0.00000000,   0.00000000,   1.50000000)
  4 : (  1.15490000,   0.75000000,   2.08650000)

COMBINATION (1234):
  LINEAR-SBT:
    INT  = -1.797640611342286e-03 + I 5.107401922591583e-04
    TIME =  -0.00179764 SEC
  LOG-SBT:
    INT  = -1.797549006415516e-03 + I 5.106308578340534e-04
    TIME =  -0.00179755 SEC

COMBINATION (1342):
  LINEAR-SBT:
    INT  = -3.512774041979751e-03 + I -3.981941355509863e-04
    TIME =  -0.00351277 SEC
  LOG-SBT:
    INT  = -3.512597724247259e-03 + I -3.980887749610993e-04
    TIME =  -0.00351260 SEC

COMBINATION (1423):
  LINEAR-SBT:
    INT  = -2.389562100752827e-03 + I 4.517668155514222e-04
    TIME =  -0.00238956 SEC
  LOG-SBT:
    INT  = -2.389773187028391e-03 + I 4.521829164314559e-04
    TIME =  -0.00238977 SEC

COMBINATION (2134):
  LINEAR-SBT:
    INT  = -1.797640611368129e-03 + I 5.107401922787128e-04
    TIME =  -0.00179764 SEC
  LOG-SBT:
    INT  = -1.797549006415519e-03 + I 5.106308578340525e-04
    TIME =  -0.00179755 SEC

COMBINATION (3124):
  LINEAR-SBT:
    INT  = -3.512774040154252e-03 + I -3.981941352001403e-04
    TIME =  -0.00351277 SEC
  LOG-SBT:
    INT  = -3.512597724247255e-03 + I -3.980887749610981e-04
    TIME =  -0.00351260 SEC


----------------------------------------------------------------
  TEST #3: DERIVATIVES
----------------------------------------------------------------

INITIALIZING LIBERI WITH LINEAR-SBT:
  LMAX    =    15
  LMAX_GL =     8
  NGRID   =  2048
  NGL     =   100
  RMAX    =     100.0000
  SBTTYPE = LINEAR-FSBT

  INITIALIZED SUCCESSFULLY.
  MEMORY USAGE = 5569912 BYTE

INITIALIZEING LIBERI WITH LOG-SBT:
  LMAX    =    15
  LMAX_GL =     8
  NGRID   =  2048
  NGL     =   100
  RMAX    =     700.0000
  SBTTYPE = LOG-FSBT
  RHO0    =     -10.0000
  NQ      =     3

  INITIALIZED SUCCESSFULLY.
  MEMORY USAGE = 13039296 BYTE

BASIS FUNCTIONS:
  1 : FILE=./pao/H5.0.pao   NODE=0  L=0  M=0
  2 : FILE=./pao/C4.0.pao   NODE=1  L=1  M=-1
  3 : FILE=./pao/O5.0.pao   NODE=2  L=2  M=0
  4 : FILE=./pao/Fe5.5.pao   NODE=3  L=3  M=2

CENTERS:
  1 : (  0.00000000,   0.00000000,   0.00000000)
  2 : (  0.00000000,   0.50000000,   0.00000000)
  3 : (  0.00000000,   0.00000000,   1.50000000)
  4 : (  1.15490000,   0.75000000,   2.08650000)

  I4 = -1.76193963e-03  5.13129688e-04

  x0 = -1.76052704e-03  5.14264712e-04
  y0 = -1.76198267e-03  5.12357451e-04
  z0 = -1.76200280e-03  5.13067595e-04
  x1 = -1.76383542e-03  5.10043943e-04
  y1 = -1.76011415e-03  5.15849812e-04
  z1 = -1.76252651e-03  5.12385845e-04
  x2 = -1.75972332e-03  5.12637961e-04
  y2 = -1.76132493e-03  5.12455374e-04
  z2 = -1.75829636e-03  5.12696699e-04
  x3 = -1.76366286e-03  5.15575397e-04
  y3 = -1.76432765e-03  5.11853121e-04
  z3 = -1.76491797e-03  5.14364045e-04

DERIVATIVES:
  dI4/dx1 = 1.41098602e-03  1.13516126e-03
  dI4/dy1 = -4.56144523e-05  -7.71370214e-04
  dI4/dz1 = -6.53613456e-05  -6.24741430e-05
  dI4/dx2 = -1.90077952e-03  -3.08674208e-03
  dI4/dy2 = 1.81922232e-03  2.72088293e-03
  dI4/dz2 = -5.89489995e-04  -7.44077793e-04
  dI4/dx3 = 2.21570474e-03  -4.92015758e-04
  dI4/dy3 = 6.14265328e-04  -6.74119319e-04
  dI4/dz3 = 3.63862059e-03  -4.31256462e-04
  dI4/dx4 = -1.72591124e-03  2.44359658e-03
  dI4/dy4 = -2.38787319e-03  -1.27539339e-03
  dI4/dz4 = -2.98376925e-03  1.23780840e-03

FINITE DIFFERENCE (DELTA=1.00000000e-03):
  dI4/dx1 = 1.41258946e-03  1.13502340e-03
  dI4/dy1 = -4.30413365e-05  -7.72236919e-04
  dI4/dz1 = -6.31736979e-05  -6.20931016e-05
  dI4/dx2 = -1.89579069e-03  -3.08574531e-03
  dI4/dy2 = 1.82547839e-03  2.72012326e-03
  dI4/dz2 = -5.86877820e-04  -7.43843613e-04
  dI4/dx3 = 2.21631263e-03  -4.91727310e-04
  dI4/dy3 = 6.14694624e-04  -6.74314818e-04
  dI4/dz3 = 3.64326440e-03  -4.32989062e-04
  dI4/dx4 = -1.72322766e-03  2.44570890e-03
  dI4/dy4 = -2.38801925e-03  -1.27656734e-03
  dI4/dz4 = -2.97833727e-03  1.23435667e-03

ERROR:
  dI4/dx1 = 1.60344374e-06  1.37861108e-07
  dI4/dy1 = 2.57311581e-06  8.66705283e-07
  dI4/dz1 = 2.18764774e-06  3.81041317e-07
  dI4/dx2 = 4.98883030e-06  9.96765553e-07
  dI4/dy2 = 6.25607549e-06  7.59668336e-07
  dI4/dz2 = 2.61217549e-06  2.34179971e-07
  dI4/dx3 = 6.07891554e-07  2.88447989e-07
  dI4/dy3 = 4.29296134e-07  1.95499529e-07
  dI4/dz3 = 4.64381039e-06  1.73259959e-06
  dI4/dx4 = 2.68358330e-06  2.11232741e-06
  dI4/dy4 = 1.46061129e-07  1.17394719e-06
  dI4/dz4 = 5.43198035e-06  3.45172969e-06

  I4 = -1.76193319e-03  5.13037147e-04

  x0 = -1.76052068e-03  5.14172419e-04
  y0 = -1.76197600e-03  5.12264928e-04
  z0 = -1.76199575e-03  5.12974521e-04
  x1 = -1.76382892e-03  5.09950995e-04
  y1 = -1.76010793e-03  5.15757281e-04
  z1 = -1.76252085e-03  5.12292695e-04
  x2 = -1.75971708e-03  5.12545464e-04
  y2 = -1.76131859e-03  5.12362600e-04
  z2 = -1.75828969e-03  5.12604395e-04
  x3 = -1.76365620e-03  5.15482971e-04
  y3 = -1.76432112e-03  5.11760759e-04
  z3 = -1.76491181e-03  5.14271266e-04

DERIVATIVES:
  dI4/dx1 = 1.41089978e-03  1.13543721e-03
  dI4/dy1 = -4.53950089e-05  -7.71340272e-04
  dI4/dz1 = -6.53677411e-05  -6.25258123e-05
  dI4/dx2 = -1.90070307e-03  -3.08717738e-03
  dI4/dy2 = 1.81900816e-03  2.72090713e-03
  dI4/dz2 = -5.89434254e-04  -7.44024364e-04
  dI4/dx3 = 2.21553127e-03  -4.91989011e-04
  dI4/dy3 = 6.14199223e-04  -6.74369583e-04
  dI4/dz3 = 3.63888604e-03  -4.31037798e-04
  dI4/dx4 = -1.72572798e-03  2.44372918e-03
  dI4/dy4 = -2.38781237e-03  -1.27519728e-03
  dI4/dz4 = -2.98408404e-03  1.23758797e-03

FINITE DIFFERENCE (DELTA=1.00000000e-03):
  dI4/dx1 = 1.41251409e-03  1.13527155e-03
  dI4/dy1 = -4.28105393e-05  -7.72219388e-04
  dI4/dz1 = -6.25543072e-05  -6.26256524e-05
  dI4/dx2 = -1.89572567e-03  -3.08615216e-03
  dI4/dy2 = 1.82526339e-03  2.72013436e-03
  dI4/dz2 = -5.87660552e-04  -7.44452255e-04
  dI4/dx3 = 2.21610764e-03  -4.91682517e-04
  dI4/dy3 = 6.14597556e-04  -6.74546693e-04
  dI4/dz3 = 3.64349835e-03  -4.32752386e-04
  dI4/dx4 = -1.72301272e-03  2.44582356e-03
  dI4/dy4 = -2.38792700e-03  -1.27638823e-03
  dI4/dz4 = -2.97862084e-03  1.23411905e-03

ERROR:
  dI4/dx1 = 1.61431547e-06  1.65656845e-07
  dI4/dy1 = 2.58446961e-06  8.79116155e-07
  dI4/dz1 = 2.81343388e-06  9.98400221e-08
  dI4/dx2 = 4.97739849e-06  1.02522558e-06
  dI4/dy2 = 6.25522745e-06  7.72768656e-07
  dI4/dz2 = 1.77370222e-06  4.27891201e-07
  dI4/dx3 = 5.76366215e-07  3.06493474e-07
  dI4/dy3 = 3.98333590e-07  1.77109944e-07
  dI4/dz3 = 4.61230992e-06  1.71458767e-06
  dI4/dx4 = 2.71526678e-06  2.09438027e-06
  dI4/dy4 = 1.14629190e-07  1.19095213e-06
  dI4/dz4 = 5.46319608e-06  3.46892025e-06

----------------------------------------------------------------
  TEST #4: SCREENING
----------------------------------------------------------------

INITIALIZING LIBERI WITH LINEAR-SBT:
  LMAX    =    15
  LMAX_GL =    10
  NGRID   =  1024
  NGL     =   100
  RMAX    =     100.0000
  SBTTYPE = LINEAR-FSBT

  INITIALIZED SUCCESSFULLY.
  MEMORY USAGE = 4218232 BYTE

INITIALIZEING LIBERI WITH LOG-SBT:
  LMAX    =    15
  LMAX_GL =    10
  NGRID   =  1024
  NGL     =   100
  RMAX    =     700.0000
  SBTTYPE = LOG-FSBT
  RHO0    =     -10.0000
  NQ      =     3

  INITIALIZED SUCCESSFULLY.
  MEMORY USAGE = 7952064 BYTE

BASIS FUNCTIONS (ssss):
  (ssss) 1 : GTO  L=0  M=0   EXPONENT=1.0  NORMALIZATION=1.0
         2 : GTO  L=0  M=0   EXPONENT=1.0  NORMALIZATION=1.0
         3 : GTO  L=0  M=0   EXPONENT=1.0  NORMALIZATION=1.0
         4 : GTO  L=0  M=0   EXPONENT=1.0  NORMALIZATION=1.0

CENTERS:
  1 : (  0.50000000,   0.50000000,   0.00000000)
  2 : (  0.50000000,  -0.50000000,   0.00000000)
  3 : ( -0.50000000,   0.50000000,   0.00000000)
  4 : ( -0.50000000,  -0.50000000,   0.00000000)

  LINEAR-SBT:
    NOSCREEN            INT = 7.608640202425442e-03 + I -2.957514202190187e-07
    SCR =       0.0500  INT = 7.099836262599667e-03 + I -6.058002815595494e-09
    SCR =       0.1000  INT = 6.598505852016922e-03 + I -1.526275006604927e-09
    SCR =       0.1500  INT = 6.108601657790884e-03 + I -6.793194777433645e-10
    SCR =       0.2000  INT = 5.636155523589419e-03 + I -3.823094137083181e-10
    SCR =       0.2500  INT = 5.185500226844198e-03 + I -2.447349900544682e-10
    SCR =       0.3000  INT = 4.759945390505834e-03 + I -1.699763483127385e-10
    SCR =       0.3500  INT = 4.361728558799131e-03 + I -1.248901055513494e-10
    SCR =       0.4000  INT = 3.992067204398930e-03 + I -9.562371968773259e-11
    SCR =       0.4500  INT = 3.651275522323475e-03 + I -7.555710778496478e-11
    SCR =       0.5000  INT = 3.338919269779087e-03 + I -6.120274281878778e-11
  LOG-SBT:
    NOSCREEN            INT = 7.608825163712139e-03 + I -1.193511127565156e-10
    SCR =       0.0500  INT = 7.099846294929758e-03 + I 2.355088234029888e-11
    SCR =       0.1000  INT = 6.598516804962074e-03 + I 1.065088315747226e-11
    SCR =       0.1500  INT = 6.108613202291895e-03 + I 4.565778787413385e-12
    SCR =       0.2000  INT = 5.636167141102421e-03 + I 1.444442307870670e-12
    SCR =       0.2500  INT = 5.185511664885545e-03 + I -3.453568115731913e-14
    SCR =       0.3000  INT = 4.759956513115919e-03 + I -6.726029745256486e-13
    SCR =       0.3500  INT = 4.361739283790519e-03 + I -9.010692864613211e-13
    SCR =       0.4000  INT = 3.992077479123993e-03 + I -9.396927728576165e-13
    SCR =       0.4500  INT = 3.651285313581859e-03 + I -8.964925683011048e-13
    SCR =       0.5000  INT = 3.338928558956409e-03 + I -8.225147066857274e-13


----------------------------------------------------------------
  SUMMARY
----------------------------------------------------------------
GTO:
           EXACT       LINEAR-SBT (ERR)    LOG-SBT    (ERR)
  (ss|ss)   0.0076088   0.0076078 (1e-06)   0.0076088 (2e-08)
  (ps|sp)   0.0025125   0.0025126 (7e-08)   0.0025124 (6e-08)
  (dd|dd)  -0.0019669  -0.0019686 (2e-06)  -0.0019680 (1e-06)
  TIME (LINEAR-SBT) =   1.0500 SEC
  TIME (LOG-SBT)    =   1.2800 SEC

PAO:
           REFERENCE   LINEAR-SBT (ERR)    LOG-SBT    (ERR)
  (12|34)  -0.0017976  -0.0017976 (1e-08)  -0.0017975 (8e-08)
  (13|42)  -0.0035125  -0.0035128 (2e-07)  -0.0035126 (6e-08)
  (14|23)  -0.0023896  -0.0023896 (4e-08)  -0.0023898 (2e-07)
  (21|34)  -0.0017976  -0.0017976 (1e-08)  -0.0017975 (8e-08)
  (31|24)  -0.0035125  -0.0035128 (2e-07)  -0.0035126 (6e-08)
  TIME (LINEAR-SBT) =   5.2000 SEC
  TIME (LOG-SBT)    =   5.5500 SEC

DERIVATIVES:
  MAXERR (LINEAR-SBT) = 6e-06
  MAXERR (LOG-SBT)    = 6e-06
  TIME   (LINEAR-SBT) =  41.4500 SEC
  TIME   (LOG-SBT)    =  44.3500 SEC

SCREENING:
  OMEGA  EXACT       LINEAR-SBT (ERR)   LOG-SBT    (ERR)
   0.05   0.0071005   0.0070998 (7e-07)   0.0070998 (6e-07)
   0.10   0.0065984   0.0065985 (9e-08)   0.0065985 (1e-07)
   0.15   0.0061085   0.0061086 (8e-08)   0.0061086 (9e-08)
   0.20   0.0056361   0.0056362 (7e-08)   0.0056362 (8e-08)
   0.25   0.0051854   0.0051855 (6e-08)   0.0051855 (8e-08)
   0.30   0.0047599   0.0047599 (6e-08)   0.0047600 (7e-08)
   0.35   0.0043617   0.0043617 (5e-08)   0.0043617 (6e-08)
   0.40   0.0039920   0.0039921 (5e-08)   0.0039921 (6e-08)
   0.45   0.0036512   0.0036513 (4e-08)   0.0036513 (5e-08)
   0.50   0.0033389   0.0033389 (4e-08)   0.0033389 (5e-08)
  TIME (LINEAR-SBT) =   4.9500 SEC
  TIME (LOG-SBT)    =   6.4100 SEC

SELF-CHECK TEST HAS COMPLETED SUCCESSFULLY.

