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File: [HallC] / simc_gfortran / he4.npst (download)
Revision: 1.1.1.1 (vendor branch), Fri Jan 23 13:33:54 2009 UTC (15 years, 7 months ago) by gaskelld
Branch: gaskelld, MAIN
CVS Tags: start, HEAD
Changes since 1.1: +0 -0 lines
initial import

********************************************************************************

    Theory  IBM RS/6000-397  AIX 4.3.2  XL Fortran 5.1  11:36:10   15-Sep-99

    4He                                                                     

    Hamiltonian H = Ti + Vij + Vijk 

    Vij  : Argonne v18      + Vem  

    Vijk : Urbana IX    ( A= -.02930  C= -.00732  U=  .00480)

    r(1)= .7812500E-02, r(5120)= 40.00000; dr= .244140625E-03

    |psi>={1+Sum[Uijk(A)]}SPrd[1+Uij(2-6)]|psiJ>                          

    |psi_move>=SPrd[1+Uij(2-6)]|psiJ>                                          

    esep                                eta               zeta
    1s0      1p1      3s1      3pj      3d1      3fj      3d1      3fj
       16.000   17.000   23.500   16.500    .0350   -.0150    .0000    .0003
    fscal
        1.000     .900    1.000     .900    1.707    1.035    1.538    1.678
    ac
        1.100    1.100    3.000    3.000    2.000    2.000    2.000    2.000
    aa
         .350     .350     .400     .400     .400     .400     .240     .240
    ar
         .750     .750    2.800    2.800    3.700    3.700     .400     .400
    alpha
        1.000    1.000    1.000    1.000     .860     .860    1.000    1.000
    beta
        1.000    1.000    1.000    1.000    1.000    1.000    1.000    1.000
    gamma
       63.157 -377.727    2.596  -20.077    1.727    -.467     .000  596.983
    spu      spv      spr      spa      spb      spc      uur      uua
         .000     .000     .000     .000     .000     .000     .000     .000
    qsss1    qsss2    qssp1    qssp2    qspp1    qspp2    qppp1    qppp2
       .20000   .85000   .00000   .00000   .00000   .00000   .00000   .00000
    qps1     qps2     qpt1     qpt2     qpb1     qpb2
       .16000   .05000   .16000   .05000   .16000   .05000
    delta    epslon   theta    upslon   rscal    uscal
     -.000375  .000000 -.000500  .000000     .720    1.000

    nucleon  momentum distribution calculated for 101 q values
    from  .00 to 10.00
    using 100 gauss points in r out to 20.00 fm

    random number seed             5851333.

    initial position:
    particle 1 : (  .00,  .00,  .00)
    particle 2 : ( 1.40,  .00,  .00)
    particle 3 : (-1.40,  .00,  .00)
    particle 4 : (  .00, 1.40,  .00)

    wave function set-up time =   2.490 seconds

    random walk step size =  1.4000
    weight =  1.0000 +   .0000 * sum(ri**2)
    of 1000 initial moves  535 were accepted

    randomized position:
    particle 1 : ( -.69,  .30, 1.31)
    particle 2 : (-1.87, -.63, 1.12)
    particle 3 : ( -.34,  .25, -.73)
    particle 4 : ( 2.90,  .09,-1.70)

    antisymmetry test
    n1   n2         1 + PxPsPt
    1    2          .11102E-15
    1    3          .00000E+00
    2    3          .00000E+00
    1    4         -.44409E-15
    2    4         -.22204E-15
    3    4         -.22204E-15

    initial move time =    .050 seconds

    metropolis walk attempts  10 steps per sample

********************************************************************************

                   total average after   20000 points

                            dst  =    .1503 ( .0004)
  mu   =    .0000 ( .0000)  qm   =    .0000 ( .0000)  hex  =    .0000 ( .0000)
  rmsp =   1.4683 ( .0033)                            rmsn =   1.4683 ( .0033)

                        norm =    .97244     (.41884E-03)
                                  .00000E+00 (.00000E+00)
                                  .00000E+00 (.00000E+00)

 k(fm-1)  rhond(k)               rhonu(k)               rhopd(k)               rhopu(k)
     .00  226.7     (1.046)  226.7     (1.046)  226.7     (1.046)  226.7     (1.046)
     .10  217.3     (.9653)  217.3     (.9653)  217.3     (.9653)  217.3     (.9653)
     .20  191.8     (.7676)  191.8     (.7676)  191.8     (.7676)  191.8     (.7676)
     .30  157.1     (.5462)  157.1     (.5462)  157.1     (.5462)  157.1     (.5462)
     .40  120.7     (.3672)  120.7     (.3672)  120.7     (.3672)  120.7     (.3672)
     .50  88.05     (.2452)  88.05     (.2452)  88.05     (.2452)  88.05     (.2452)
     .60  61.63     (.1670)  61.63     (.1670)  61.63     (.1670)  61.63     (.1670)
     .70  41.77     (.1159)  41.77     (.1159)  41.77     (.1159)  41.77     (.1159)
     .80  27.62     (.8026E-01)  27.62     (.8026E-01)  27.62     (.8026E-01)  27.62     (.8026E-01)
     .90  17.92     (.5425E-01)  17.92     (.5425E-01)  17.92     (.5425E-01)  17.92     (.5425E-01)
    1.00  11.47     (.3560E-01)  11.47     (.3560E-01)  11.47     (.3560E-01)  11.47     (.3560E-01)
    1.10  7.267     (.2360E-01)  7.267     (.2360E-01)  7.267     (.2360E-01)  7.267     (.2360E-01)
    1.20  4.581     (.1785E-01)  4.581     (.1785E-01)  4.581     (.1785E-01)  4.581     (.1785E-01)
    1.30  2.886     (.1643E-01)  2.886     (.1643E-01)  2.886     (.1643E-01)  2.886     (.1643E-01)
    1.40  1.830     (.1645E-01)  1.830     (.1645E-01)  1.830     (.1645E-01)  1.830     (.1645E-01)
    1.50  1.177     (.1634E-01)  1.177     (.1634E-01)  1.177     (.1634E-01)  1.177     (.1634E-01)
    1.60  .7756     (.1572E-01)  .7756     (.1572E-01)  .7756     (.1572E-01)  .7756     (.1572E-01)
    1.70  .5304     (.1461E-01)  .5304     (.1461E-01)  .5304     (.1461E-01)  .5304     (.1461E-01)
    1.80  .3808     (.1319E-01)  .3808     (.1319E-01)  .3808     (.1319E-01)  .3808     (.1319E-01)
    1.90  .2895     (.1164E-01)  .2895     (.1164E-01)  .2895     (.1164E-01)  .2895     (.1164E-01)
    2.00  .2330     (.1009E-01)  .2330     (.1009E-01)  .2330     (.1009E-01)  .2330     (.1009E-01)
    2.10  .1964     (.8594E-02)  .1964     (.8594E-02)  .1964     (.8594E-02)  .1964     (.8594E-02)
    2.20  .1707     (.7223E-02)  .1707     (.7223E-02)  .1707     (.7223E-02)  .1707     (.7223E-02)
    2.30  .1506     (.5994E-02)  .1506     (.5994E-02)  .1506     (.5994E-02)  .1506     (.5994E-02)
    2.40  .1337     (.4914E-02)  .1337     (.4914E-02)  .1337     (.4914E-02)  .1337     (.4914E-02)
    2.50  .1188     (.3984E-02)  .1188     (.3984E-02)  .1188     (.3984E-02)  .1188     (.3984E-02)
    2.60  .1054     (.3198E-02)  .1054     (.3198E-02)  .1054     (.3198E-02)  .1054     (.3198E-02)
    2.70  .9337E-01 (.2543E-02)  .9337E-01 (.2543E-02)  .9337E-01 (.2543E-02)  .9337E-01 (.2543E-02)
    2.80  .8247E-01 (.2007E-02)  .8247E-01 (.2007E-02)  .8247E-01 (.2007E-02)  .8247E-01 (.2007E-02)
    2.90  .7258E-01 (.1579E-02)  .7258E-01 (.1579E-02)  .7258E-01 (.1579E-02)  .7258E-01 (.1579E-02)
    3.00  .6362E-01 (.1244E-02)  .6362E-01 (.1244E-02)  .6362E-01 (.1244E-02)  .6362E-01 (.1244E-02)
    3.10  .5552E-01 (.9904E-03)  .5552E-01 (.9904E-03)  .5552E-01 (.9904E-03)  .5552E-01 (.9904E-03)
    3.20  .4824E-01 (.8063E-03)  .4824E-01 (.8063E-03)  .4824E-01 (.8063E-03)  .4824E-01 (.8063E-03)
    3.30  .4176E-01 (.6781E-03)  .4176E-01 (.6781E-03)  .4176E-01 (.6781E-03)  .4176E-01 (.6781E-03)
    3.40  .3602E-01 (.5921E-03)  .3602E-01 (.5921E-03)  .3602E-01 (.5921E-03)  .3602E-01 (.5921E-03)
    3.50  .3097E-01 (.5345E-03)  .3097E-01 (.5345E-03)  .3097E-01 (.5345E-03)  .3097E-01 (.5345E-03)
    3.60  .2656E-01 (.4934E-03)  .2656E-01 (.4934E-03)  .2656E-01 (.4934E-03)  .2656E-01 (.4934E-03)
    3.70  .2274E-01 (.4602E-03)  .2274E-01 (.4602E-03)  .2274E-01 (.4602E-03)  .2274E-01 (.4602E-03)
    3.80  .1944E-01 (.4298E-03)  .1944E-01 (.4298E-03)  .1944E-01 (.4298E-03)  .1944E-01 (.4298E-03)
    3.90  .1660E-01 (.3995E-03)  .1660E-01 (.3995E-03)  .1660E-01 (.3995E-03)  .1660E-01 (.3995E-03)
    4.00  .1416E-01 (.3686E-03)  .1416E-01 (.3686E-03)  .1416E-01 (.3686E-03)  .1416E-01 (.3686E-03)
    4.10  .1205E-01 (.3369E-03)  .1205E-01 (.3369E-03)  .1205E-01 (.3369E-03)  .1205E-01 (.3369E-03)
    4.20  .1023E-01 (.3047E-03)  .1023E-01 (.3047E-03)  .1023E-01 (.3047E-03)  .1023E-01 (.3047E-03)
    4.30  .8663E-02 (.2728E-03)  .8663E-02 (.2728E-03)  .8663E-02 (.2728E-03)  .8663E-02 (.2728E-03)
    4.40  .7320E-02 (.2419E-03)  .7320E-02 (.2419E-03)  .7320E-02 (.2419E-03)  .7320E-02 (.2419E-03)
    4.50  .6176E-02 (.2124E-03)  .6176E-02 (.2124E-03)  .6176E-02 (.2124E-03)  .6176E-02 (.2124E-03)
    4.60  .5206E-02 (.1848E-03)  .5206E-02 (.1848E-03)  .5206E-02 (.1848E-03)  .5206E-02 (.1848E-03)
    4.70  .4386E-02 (.1593E-03)  .4386E-02 (.1593E-03)  .4386E-02 (.1593E-03)  .4386E-02 (.1593E-03)
    4.80  .3691E-02 (.1361E-03)  .3691E-02 (.1361E-03)  .3691E-02 (.1361E-03)  .3691E-02 (.1361E-03)
    4.90  .3100E-02 (.1154E-03)  .3100E-02 (.1154E-03)  .3100E-02 (.1154E-03)  .3100E-02 (.1154E-03)
    5.00  .2596E-02 (.9714E-04)  .2596E-02 (.9714E-04)  .2596E-02 (.9714E-04)  .2596E-02 (.9714E-04)
    5.10  .2167E-02 (.8122E-04)  .2167E-02 (.8122E-04)  .2167E-02 (.8122E-04)  .2167E-02 (.8122E-04)
    5.20  .1807E-02 (.6748E-04)  .1807E-02 (.6748E-04)  .1807E-02 (.6748E-04)  .1807E-02 (.6748E-04)
    5.30  .1504E-02 (.5571E-04)  .1504E-02 (.5571E-04)  .1504E-02 (.5571E-04)  .1504E-02 (.5571E-04)
    5.40  .1250E-02 (.4579E-04)  .1250E-02 (.4579E-04)  .1250E-02 (.4579E-04)  .1250E-02 (.4579E-04)
    5.50  .1035E-02 (.3755E-04)  .1035E-02 (.3755E-04)  .1035E-02 (.3755E-04)  .1035E-02 (.3755E-04)
    5.60  .8513E-03 (.3082E-04)  .8513E-03 (.3082E-04)  .8513E-03 (.3082E-04)  .8513E-03 (.3082E-04)
    5.70  .6970E-03 (.2544E-04)  .6970E-03 (.2544E-04)  .6970E-03 (.2544E-04)  .6970E-03 (.2544E-04)
    5.80  .5692E-03 (.2120E-04)  .5692E-03 (.2120E-04)  .5692E-03 (.2120E-04)  .5692E-03 (.2120E-04)
    5.90  .4639E-03 (.1789E-04)  .4639E-03 (.1789E-04)  .4639E-03 (.1789E-04)  .4639E-03 (.1789E-04)
    6.00  .3762E-03 (.1534E-04)  .3762E-03 (.1534E-04)  .3762E-03 (.1534E-04)  .3762E-03 (.1534E-04)
    6.10  .3024E-03 (.1335E-04)  .3024E-03 (.1335E-04)  .3024E-03 (.1335E-04)  .3024E-03 (.1335E-04)
    6.20  .2413E-03 (.1174E-04)  .2413E-03 (.1174E-04)  .2413E-03 (.1174E-04)  .2413E-03 (.1174E-04)
    6.30  .1925E-03 (.1038E-04)  .1925E-03 (.1038E-04)  .1925E-03 (.1038E-04)  .1925E-03 (.1038E-04)
    6.40  .1543E-03 (.9271E-05)  .1543E-03 (.9271E-05)  .1543E-03 (.9271E-05)  .1543E-03 (.9271E-05)
    6.50  .1237E-03 (.8399E-05)  .1237E-03 (.8399E-05)  .1237E-03 (.8399E-05)  .1237E-03 (.8399E-05)
    6.60  .9782E-04 (.7712E-05)  .9782E-04 (.7712E-05)  .9782E-04 (.7712E-05)  .9782E-04 (.7712E-05)
    6.70  .7577E-04 (.7308E-05)  .7577E-04 (.7308E-05)  .7577E-04 (.7308E-05)  .7577E-04 (.7308E-05)
    6.80  .5816E-04 (.7098E-05)  .5816E-04 (.7098E-05)  .5816E-04 (.7098E-05)  .5816E-04 (.7098E-05)
    6.90  .4478E-04 (.7044E-05)  .4478E-04 (.7044E-05)  .4478E-04 (.7044E-05)  .4478E-04 (.7044E-05)
    7.00  .3441E-04 (.7130E-05)  .3441E-04 (.7130E-05)  .3441E-04 (.7130E-05)  .3441E-04 (.7130E-05)
    7.10  .2661E-04 (.7056E-05)  .2661E-04 (.7056E-05)  .2661E-04 (.7056E-05)  .2661E-04 (.7056E-05)
    7.20  .2197E-04 (.6885E-05)  .2197E-04 (.6885E-05)  .2197E-04 (.6885E-05)  .2197E-04 (.6885E-05)
    7.30  .1954E-04 (.6857E-05)  .1954E-04 (.6857E-05)  .1954E-04 (.6857E-05)  .1954E-04 (.6857E-05)
    7.40  .1585E-04 (.6404E-05)  .1585E-04 (.6404E-05)  .1585E-04 (.6404E-05)  .1585E-04 (.6404E-05)
    7.50  .9145E-05 (.5672E-05)  .9145E-05 (.5672E-05)  .9145E-05 (.5672E-05)  .9145E-05 (.5672E-05)
    7.60  .3318E-05 (.5620E-05)  .3318E-05 (.5620E-05)  .3318E-05 (.5620E-05)  .3318E-05 (.5620E-05)
    7.70  .3805E-05 (.5096E-05)  .3805E-05 (.5096E-05)  .3805E-05 (.5096E-05)  .3805E-05 (.5096E-05)
    7.80  .9451E-05 (.4975E-05)  .9451E-05 (.4975E-05)  .9451E-05 (.4975E-05)  .9451E-05 (.4975E-05)
    7.90  .1309E-04 (.4658E-05)  .1309E-04 (.4658E-05)  .1309E-04 (.4658E-05)  .1309E-04 (.4658E-05)
    8.00  .1154E-04 (.6603E-05)  .1154E-04 (.6603E-05)  .1154E-04 (.6603E-05)  .1154E-04 (.6603E-05)
    8.10  .9166E-05 (.7136E-05)  .9166E-05 (.7136E-05)  .9166E-05 (.7136E-05)  .9166E-05 (.7136E-05)
    8.20  .8515E-05 (.7256E-05)  .8515E-05 (.7256E-05)  .8515E-05 (.7256E-05)  .8515E-05 (.7256E-05)
    8.30  .5005E-05 (.1147E-04)  .5005E-05 (.1147E-04)  .5005E-05 (.1147E-04)  .5005E-05 (.1147E-04)
    8.40 -.1724E-05 (.1163E-04) -.1724E-05 (.1163E-04) -.1724E-05 (.1163E-04) -.1724E-05 (.1163E-04)
    8.50  .9040E-07 (.1261E-04)  .9040E-07 (.1261E-04)  .9040E-07 (.1261E-04)  .9040E-07 (.1261E-04)
    8.60  .1695E-04 (.1930E-04)  .1695E-04 (.1930E-04)  .1695E-04 (.1930E-04)  .1695E-04 (.1930E-04)
    8.70  .3047E-04 (.1893E-04)  .3047E-04 (.1893E-04)  .3047E-04 (.1893E-04)  .3047E-04 (.1893E-04)
    8.80  .1568E-04 (.1940E-04)  .1568E-04 (.1940E-04)  .1568E-04 (.1940E-04)  .1568E-04 (.1940E-04)
    8.90 -.1875E-04 (.3347E-04) -.1875E-04 (.3347E-04) -.1875E-04 (.3347E-04) -.1875E-04 (.3347E-04)
    9.00 -.3133E-04 (.2710E-04) -.3133E-04 (.2710E-04) -.3133E-04 (.2710E-04) -.3133E-04 (.2710E-04)
    9.10  .1129E-05 (.3360E-04)  .1129E-05 (.3360E-04)  .1129E-05 (.3360E-04)  .1129E-05 (.3360E-04)
    9.20  .5439E-04 (.5220E-04)  .5439E-04 (.5220E-04)  .5439E-04 (.5220E-04)  .5439E-04 (.5220E-04)
    9.30  .7646E-04 (.4155E-04)  .7646E-04 (.4155E-04)  .7646E-04 (.4155E-04)  .7646E-04 (.4155E-04)
    9.40 -.5716E-05 (.5455E-04) -.5716E-05 (.5455E-04) -.5716E-05 (.5455E-04) -.5716E-05 (.5455E-04)
    9.50 -.2015E-03 (.7876E-04) -.2015E-03 (.7876E-04) -.2015E-03 (.7876E-04) -.2015E-03 (.7876E-04)
    9.60 -.1920E-03 (.6734E-04) -.1920E-03 (.6734E-04) -.1920E-03 (.6734E-04) -.1920E-03 (.6734E-04)
    9.70  .3749E-03 (.8837E-04)  .3749E-03 (.8837E-04)  .3749E-03 (.8837E-04)  .3749E-03 (.8837E-04)
    9.80  .6545E-03 (.1358E-03)  .6545E-03 (.1358E-03)  .6545E-03 (.1358E-03)  .6545E-03 (.1358E-03)
    9.90 -.6926E-03 (.9640E-04) -.6926E-03 (.9640E-04) -.6926E-03 (.9640E-04) -.6926E-03 (.9640E-04)
   10.00 -.1762E-02 (.2227E-03) -.1762E-02 (.2227E-03) -.1762E-02 (.2227E-03) -.1762E-02 (.2227E-03)

    nd       nu       pd       pu
         .999     .999     .999     .999

          mok =   96246                nwarn =       2       0       0

********************************************************************************

                          total average for  10 blocks

                            dst  =    .1503 ( .0007)
  mu   =    .0000 ( .0000)  qm   =    .0000 ( .0000)  hex  =    .0000 ( .0000)
  rmsp =   1.4683 ( .0108)                            rmsn =   1.4683 ( .0108)

                        norm =    .97244     (.58685E-03)
                                  .00000E+00 (.00000E+00)
                                  .00000E+00 (.00000E+00)

********************************************************************************

    energy calculation time =  1942.940 seconds

    total flops =   264941761978.

    energy calculation speed = 136.361 Mflops

    total job time =  1945.480 seconds

Analyzer/Replay: Mark Jones, Documents: Stephen Wood
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