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  1 gaskelld 1.1 ********************************************************************************
  2              
  3                  Theory  IBM RS/6000-397  AIX 4.3.2  XL Fortran 5.1  11:36:10   15-Sep-99
  4              
  5                  4He                                                                     
  6              
  7                  Hamiltonian H = Ti + Vij + Vijk 
  8              
  9                  Vij  : Argonne v18      + Vem  
 10              
 11                  Vijk : Urbana IX    ( A= -.02930  C= -.00732  U=  .00480)
 12              
 13                  r(1)= .7812500E-02, r(5120)= 40.00000; dr= .244140625E-03
 14              
 15                  |psi>={1+Sum[Uijk(A)]}SPrd[1+Uij(2-6)]|psiJ>                          
 16              
 17                  |psi_move>=SPrd[1+Uij(2-6)]|psiJ>                                          
 18              
 19                  esep                                eta               zeta
 20                  1s0      1p1      3s1      3pj      3d1      3fj      3d1      3fj
 21                     16.000   17.000   23.500   16.500    .0350   -.0150    .0000    .0003
 22 gaskelld 1.1     fscal
 23                      1.000     .900    1.000     .900    1.707    1.035    1.538    1.678
 24                  ac
 25                      1.100    1.100    3.000    3.000    2.000    2.000    2.000    2.000
 26                  aa
 27                       .350     .350     .400     .400     .400     .400     .240     .240
 28                  ar
 29                       .750     .750    2.800    2.800    3.700    3.700     .400     .400
 30                  alpha
 31                      1.000    1.000    1.000    1.000     .860     .860    1.000    1.000
 32                  beta
 33                      1.000    1.000    1.000    1.000    1.000    1.000    1.000    1.000
 34                  gamma
 35                     63.157 -377.727    2.596  -20.077    1.727    -.467     .000  596.983
 36                  spu      spv      spr      spa      spb      spc      uur      uua
 37                       .000     .000     .000     .000     .000     .000     .000     .000
 38                  qsss1    qsss2    qssp1    qssp2    qspp1    qspp2    qppp1    qppp2
 39                     .20000   .85000   .00000   .00000   .00000   .00000   .00000   .00000
 40                  qps1     qps2     qpt1     qpt2     qpb1     qpb2
 41                     .16000   .05000   .16000   .05000   .16000   .05000
 42                  delta    epslon   theta    upslon   rscal    uscal
 43 gaskelld 1.1      -.000375  .000000 -.000500  .000000     .720    1.000
 44              
 45                  nucleon  momentum distribution calculated for 101 q values
 46                  from  .00 to 10.00
 47                  using 100 gauss points in r out to 20.00 fm
 48              
 49                  random number seed             5851333.
 50              
 51                  initial position:
 52                  particle 1 : (  .00,  .00,  .00)
 53                  particle 2 : ( 1.40,  .00,  .00)
 54                  particle 3 : (-1.40,  .00,  .00)
 55                  particle 4 : (  .00, 1.40,  .00)
 56              
 57                  wave function set-up time =   2.490 seconds
 58              
 59                  random walk step size =  1.4000
 60                  weight =  1.0000 +   .0000 * sum(ri**2)
 61                  of 1000 initial moves  535 were accepted
 62              
 63                  randomized position:
 64 gaskelld 1.1     particle 1 : ( -.69,  .30, 1.31)
 65                  particle 2 : (-1.87, -.63, 1.12)
 66                  particle 3 : ( -.34,  .25, -.73)
 67                  particle 4 : ( 2.90,  .09,-1.70)
 68              
 69                  antisymmetry test
 70                  n1   n2         1 + PxPsPt
 71                  1    2          .11102E-15
 72                  1    3          .00000E+00
 73                  2    3          .00000E+00
 74                  1    4         -.44409E-15
 75                  2    4         -.22204E-15
 76                  3    4         -.22204E-15
 77              
 78                  initial move time =    .050 seconds
 79              
 80                  metropolis walk attempts  10 steps per sample
 81              
 82              ********************************************************************************
 83              
 84                                 total average after   20000 points
 85 gaskelld 1.1 
 86                                          dst  =    .1503 ( .0004)
 87                mu   =    .0000 ( .0000)  qm   =    .0000 ( .0000)  hex  =    .0000 ( .0000)
 88                rmsp =   1.4683 ( .0033)                            rmsn =   1.4683 ( .0033)
 89              
 90                                      norm =    .97244     (.41884E-03)
 91                                                .00000E+00 (.00000E+00)
 92                                                .00000E+00 (.00000E+00)
 93              
 94               k(fm-1)  rhond(k)               rhonu(k)               rhopd(k)               rhopu(k)
 95                   .00  226.7     (1.046)  226.7     (1.046)  226.7     (1.046)  226.7     (1.046)
 96                   .10  217.3     (.9653)  217.3     (.9653)  217.3     (.9653)  217.3     (.9653)
 97                   .20  191.8     (.7676)  191.8     (.7676)  191.8     (.7676)  191.8     (.7676)
 98                   .30  157.1     (.5462)  157.1     (.5462)  157.1     (.5462)  157.1     (.5462)
 99                   .40  120.7     (.3672)  120.7     (.3672)  120.7     (.3672)  120.7     (.3672)
100                   .50  88.05     (.2452)  88.05     (.2452)  88.05     (.2452)  88.05     (.2452)
101                   .60  61.63     (.1670)  61.63     (.1670)  61.63     (.1670)  61.63     (.1670)
102                   .70  41.77     (.1159)  41.77     (.1159)  41.77     (.1159)  41.77     (.1159)
103                   .80  27.62     (.8026E-01)  27.62     (.8026E-01)  27.62     (.8026E-01)  27.62     (.8026E-01)
104                   .90  17.92     (.5425E-01)  17.92     (.5425E-01)  17.92     (.5425E-01)  17.92     (.5425E-01)
105                  1.00  11.47     (.3560E-01)  11.47     (.3560E-01)  11.47     (.3560E-01)  11.47     (.3560E-01)
106 gaskelld 1.1     1.10  7.267     (.2360E-01)  7.267     (.2360E-01)  7.267     (.2360E-01)  7.267     (.2360E-01)
107                  1.20  4.581     (.1785E-01)  4.581     (.1785E-01)  4.581     (.1785E-01)  4.581     (.1785E-01)
108                  1.30  2.886     (.1643E-01)  2.886     (.1643E-01)  2.886     (.1643E-01)  2.886     (.1643E-01)
109                  1.40  1.830     (.1645E-01)  1.830     (.1645E-01)  1.830     (.1645E-01)  1.830     (.1645E-01)
110                  1.50  1.177     (.1634E-01)  1.177     (.1634E-01)  1.177     (.1634E-01)  1.177     (.1634E-01)
111                  1.60  .7756     (.1572E-01)  .7756     (.1572E-01)  .7756     (.1572E-01)  .7756     (.1572E-01)
112                  1.70  .5304     (.1461E-01)  .5304     (.1461E-01)  .5304     (.1461E-01)  .5304     (.1461E-01)
113                  1.80  .3808     (.1319E-01)  .3808     (.1319E-01)  .3808     (.1319E-01)  .3808     (.1319E-01)
114                  1.90  .2895     (.1164E-01)  .2895     (.1164E-01)  .2895     (.1164E-01)  .2895     (.1164E-01)
115                  2.00  .2330     (.1009E-01)  .2330     (.1009E-01)  .2330     (.1009E-01)  .2330     (.1009E-01)
116                  2.10  .1964     (.8594E-02)  .1964     (.8594E-02)  .1964     (.8594E-02)  .1964     (.8594E-02)
117                  2.20  .1707     (.7223E-02)  .1707     (.7223E-02)  .1707     (.7223E-02)  .1707     (.7223E-02)
118                  2.30  .1506     (.5994E-02)  .1506     (.5994E-02)  .1506     (.5994E-02)  .1506     (.5994E-02)
119                  2.40  .1337     (.4914E-02)  .1337     (.4914E-02)  .1337     (.4914E-02)  .1337     (.4914E-02)
120                  2.50  .1188     (.3984E-02)  .1188     (.3984E-02)  .1188     (.3984E-02)  .1188     (.3984E-02)
121                  2.60  .1054     (.3198E-02)  .1054     (.3198E-02)  .1054     (.3198E-02)  .1054     (.3198E-02)
122                  2.70  .9337E-01 (.2543E-02)  .9337E-01 (.2543E-02)  .9337E-01 (.2543E-02)  .9337E-01 (.2543E-02)
123                  2.80  .8247E-01 (.2007E-02)  .8247E-01 (.2007E-02)  .8247E-01 (.2007E-02)  .8247E-01 (.2007E-02)
124                  2.90  .7258E-01 (.1579E-02)  .7258E-01 (.1579E-02)  .7258E-01 (.1579E-02)  .7258E-01 (.1579E-02)
125                  3.00  .6362E-01 (.1244E-02)  .6362E-01 (.1244E-02)  .6362E-01 (.1244E-02)  .6362E-01 (.1244E-02)
126                  3.10  .5552E-01 (.9904E-03)  .5552E-01 (.9904E-03)  .5552E-01 (.9904E-03)  .5552E-01 (.9904E-03)
127 gaskelld 1.1     3.20  .4824E-01 (.8063E-03)  .4824E-01 (.8063E-03)  .4824E-01 (.8063E-03)  .4824E-01 (.8063E-03)
128                  3.30  .4176E-01 (.6781E-03)  .4176E-01 (.6781E-03)  .4176E-01 (.6781E-03)  .4176E-01 (.6781E-03)
129                  3.40  .3602E-01 (.5921E-03)  .3602E-01 (.5921E-03)  .3602E-01 (.5921E-03)  .3602E-01 (.5921E-03)
130                  3.50  .3097E-01 (.5345E-03)  .3097E-01 (.5345E-03)  .3097E-01 (.5345E-03)  .3097E-01 (.5345E-03)
131                  3.60  .2656E-01 (.4934E-03)  .2656E-01 (.4934E-03)  .2656E-01 (.4934E-03)  .2656E-01 (.4934E-03)
132                  3.70  .2274E-01 (.4602E-03)  .2274E-01 (.4602E-03)  .2274E-01 (.4602E-03)  .2274E-01 (.4602E-03)
133                  3.80  .1944E-01 (.4298E-03)  .1944E-01 (.4298E-03)  .1944E-01 (.4298E-03)  .1944E-01 (.4298E-03)
134                  3.90  .1660E-01 (.3995E-03)  .1660E-01 (.3995E-03)  .1660E-01 (.3995E-03)  .1660E-01 (.3995E-03)
135                  4.00  .1416E-01 (.3686E-03)  .1416E-01 (.3686E-03)  .1416E-01 (.3686E-03)  .1416E-01 (.3686E-03)
136                  4.10  .1205E-01 (.3369E-03)  .1205E-01 (.3369E-03)  .1205E-01 (.3369E-03)  .1205E-01 (.3369E-03)
137                  4.20  .1023E-01 (.3047E-03)  .1023E-01 (.3047E-03)  .1023E-01 (.3047E-03)  .1023E-01 (.3047E-03)
138                  4.30  .8663E-02 (.2728E-03)  .8663E-02 (.2728E-03)  .8663E-02 (.2728E-03)  .8663E-02 (.2728E-03)
139                  4.40  .7320E-02 (.2419E-03)  .7320E-02 (.2419E-03)  .7320E-02 (.2419E-03)  .7320E-02 (.2419E-03)
140                  4.50  .6176E-02 (.2124E-03)  .6176E-02 (.2124E-03)  .6176E-02 (.2124E-03)  .6176E-02 (.2124E-03)
141                  4.60  .5206E-02 (.1848E-03)  .5206E-02 (.1848E-03)  .5206E-02 (.1848E-03)  .5206E-02 (.1848E-03)
142                  4.70  .4386E-02 (.1593E-03)  .4386E-02 (.1593E-03)  .4386E-02 (.1593E-03)  .4386E-02 (.1593E-03)
143                  4.80  .3691E-02 (.1361E-03)  .3691E-02 (.1361E-03)  .3691E-02 (.1361E-03)  .3691E-02 (.1361E-03)
144                  4.90  .3100E-02 (.1154E-03)  .3100E-02 (.1154E-03)  .3100E-02 (.1154E-03)  .3100E-02 (.1154E-03)
145                  5.00  .2596E-02 (.9714E-04)  .2596E-02 (.9714E-04)  .2596E-02 (.9714E-04)  .2596E-02 (.9714E-04)
146                  5.10  .2167E-02 (.8122E-04)  .2167E-02 (.8122E-04)  .2167E-02 (.8122E-04)  .2167E-02 (.8122E-04)
147                  5.20  .1807E-02 (.6748E-04)  .1807E-02 (.6748E-04)  .1807E-02 (.6748E-04)  .1807E-02 (.6748E-04)
148 gaskelld 1.1     5.30  .1504E-02 (.5571E-04)  .1504E-02 (.5571E-04)  .1504E-02 (.5571E-04)  .1504E-02 (.5571E-04)
149                  5.40  .1250E-02 (.4579E-04)  .1250E-02 (.4579E-04)  .1250E-02 (.4579E-04)  .1250E-02 (.4579E-04)
150                  5.50  .1035E-02 (.3755E-04)  .1035E-02 (.3755E-04)  .1035E-02 (.3755E-04)  .1035E-02 (.3755E-04)
151                  5.60  .8513E-03 (.3082E-04)  .8513E-03 (.3082E-04)  .8513E-03 (.3082E-04)  .8513E-03 (.3082E-04)
152                  5.70  .6970E-03 (.2544E-04)  .6970E-03 (.2544E-04)  .6970E-03 (.2544E-04)  .6970E-03 (.2544E-04)
153                  5.80  .5692E-03 (.2120E-04)  .5692E-03 (.2120E-04)  .5692E-03 (.2120E-04)  .5692E-03 (.2120E-04)
154                  5.90  .4639E-03 (.1789E-04)  .4639E-03 (.1789E-04)  .4639E-03 (.1789E-04)  .4639E-03 (.1789E-04)
155                  6.00  .3762E-03 (.1534E-04)  .3762E-03 (.1534E-04)  .3762E-03 (.1534E-04)  .3762E-03 (.1534E-04)
156                  6.10  .3024E-03 (.1335E-04)  .3024E-03 (.1335E-04)  .3024E-03 (.1335E-04)  .3024E-03 (.1335E-04)
157                  6.20  .2413E-03 (.1174E-04)  .2413E-03 (.1174E-04)  .2413E-03 (.1174E-04)  .2413E-03 (.1174E-04)
158                  6.30  .1925E-03 (.1038E-04)  .1925E-03 (.1038E-04)  .1925E-03 (.1038E-04)  .1925E-03 (.1038E-04)
159                  6.40  .1543E-03 (.9271E-05)  .1543E-03 (.9271E-05)  .1543E-03 (.9271E-05)  .1543E-03 (.9271E-05)
160                  6.50  .1237E-03 (.8399E-05)  .1237E-03 (.8399E-05)  .1237E-03 (.8399E-05)  .1237E-03 (.8399E-05)
161                  6.60  .9782E-04 (.7712E-05)  .9782E-04 (.7712E-05)  .9782E-04 (.7712E-05)  .9782E-04 (.7712E-05)
162                  6.70  .7577E-04 (.7308E-05)  .7577E-04 (.7308E-05)  .7577E-04 (.7308E-05)  .7577E-04 (.7308E-05)
163                  6.80  .5816E-04 (.7098E-05)  .5816E-04 (.7098E-05)  .5816E-04 (.7098E-05)  .5816E-04 (.7098E-05)
164                  6.90  .4478E-04 (.7044E-05)  .4478E-04 (.7044E-05)  .4478E-04 (.7044E-05)  .4478E-04 (.7044E-05)
165                  7.00  .3441E-04 (.7130E-05)  .3441E-04 (.7130E-05)  .3441E-04 (.7130E-05)  .3441E-04 (.7130E-05)
166                  7.10  .2661E-04 (.7056E-05)  .2661E-04 (.7056E-05)  .2661E-04 (.7056E-05)  .2661E-04 (.7056E-05)
167                  7.20  .2197E-04 (.6885E-05)  .2197E-04 (.6885E-05)  .2197E-04 (.6885E-05)  .2197E-04 (.6885E-05)
168                  7.30  .1954E-04 (.6857E-05)  .1954E-04 (.6857E-05)  .1954E-04 (.6857E-05)  .1954E-04 (.6857E-05)
169 gaskelld 1.1     7.40  .1585E-04 (.6404E-05)  .1585E-04 (.6404E-05)  .1585E-04 (.6404E-05)  .1585E-04 (.6404E-05)
170                  7.50  .9145E-05 (.5672E-05)  .9145E-05 (.5672E-05)  .9145E-05 (.5672E-05)  .9145E-05 (.5672E-05)
171                  7.60  .3318E-05 (.5620E-05)  .3318E-05 (.5620E-05)  .3318E-05 (.5620E-05)  .3318E-05 (.5620E-05)
172                  7.70  .3805E-05 (.5096E-05)  .3805E-05 (.5096E-05)  .3805E-05 (.5096E-05)  .3805E-05 (.5096E-05)
173                  7.80  .9451E-05 (.4975E-05)  .9451E-05 (.4975E-05)  .9451E-05 (.4975E-05)  .9451E-05 (.4975E-05)
174                  7.90  .1309E-04 (.4658E-05)  .1309E-04 (.4658E-05)  .1309E-04 (.4658E-05)  .1309E-04 (.4658E-05)
175                  8.00  .1154E-04 (.6603E-05)  .1154E-04 (.6603E-05)  .1154E-04 (.6603E-05)  .1154E-04 (.6603E-05)
176                  8.10  .9166E-05 (.7136E-05)  .9166E-05 (.7136E-05)  .9166E-05 (.7136E-05)  .9166E-05 (.7136E-05)
177                  8.20  .8515E-05 (.7256E-05)  .8515E-05 (.7256E-05)  .8515E-05 (.7256E-05)  .8515E-05 (.7256E-05)
178                  8.30  .5005E-05 (.1147E-04)  .5005E-05 (.1147E-04)  .5005E-05 (.1147E-04)  .5005E-05 (.1147E-04)
179                  8.40 -.1724E-05 (.1163E-04) -.1724E-05 (.1163E-04) -.1724E-05 (.1163E-04) -.1724E-05 (.1163E-04)
180                  8.50  .9040E-07 (.1261E-04)  .9040E-07 (.1261E-04)  .9040E-07 (.1261E-04)  .9040E-07 (.1261E-04)
181                  8.60  .1695E-04 (.1930E-04)  .1695E-04 (.1930E-04)  .1695E-04 (.1930E-04)  .1695E-04 (.1930E-04)
182                  8.70  .3047E-04 (.1893E-04)  .3047E-04 (.1893E-04)  .3047E-04 (.1893E-04)  .3047E-04 (.1893E-04)
183                  8.80  .1568E-04 (.1940E-04)  .1568E-04 (.1940E-04)  .1568E-04 (.1940E-04)  .1568E-04 (.1940E-04)
184                  8.90 -.1875E-04 (.3347E-04) -.1875E-04 (.3347E-04) -.1875E-04 (.3347E-04) -.1875E-04 (.3347E-04)
185                  9.00 -.3133E-04 (.2710E-04) -.3133E-04 (.2710E-04) -.3133E-04 (.2710E-04) -.3133E-04 (.2710E-04)
186                  9.10  .1129E-05 (.3360E-04)  .1129E-05 (.3360E-04)  .1129E-05 (.3360E-04)  .1129E-05 (.3360E-04)
187                  9.20  .5439E-04 (.5220E-04)  .5439E-04 (.5220E-04)  .5439E-04 (.5220E-04)  .5439E-04 (.5220E-04)
188                  9.30  .7646E-04 (.4155E-04)  .7646E-04 (.4155E-04)  .7646E-04 (.4155E-04)  .7646E-04 (.4155E-04)
189                  9.40 -.5716E-05 (.5455E-04) -.5716E-05 (.5455E-04) -.5716E-05 (.5455E-04) -.5716E-05 (.5455E-04)
190 gaskelld 1.1     9.50 -.2015E-03 (.7876E-04) -.2015E-03 (.7876E-04) -.2015E-03 (.7876E-04) -.2015E-03 (.7876E-04)
191                  9.60 -.1920E-03 (.6734E-04) -.1920E-03 (.6734E-04) -.1920E-03 (.6734E-04) -.1920E-03 (.6734E-04)
192                  9.70  .3749E-03 (.8837E-04)  .3749E-03 (.8837E-04)  .3749E-03 (.8837E-04)  .3749E-03 (.8837E-04)
193                  9.80  .6545E-03 (.1358E-03)  .6545E-03 (.1358E-03)  .6545E-03 (.1358E-03)  .6545E-03 (.1358E-03)
194                  9.90 -.6926E-03 (.9640E-04) -.6926E-03 (.9640E-04) -.6926E-03 (.9640E-04) -.6926E-03 (.9640E-04)
195                 10.00 -.1762E-02 (.2227E-03) -.1762E-02 (.2227E-03) -.1762E-02 (.2227E-03) -.1762E-02 (.2227E-03)
196              
197                  nd       nu       pd       pu
198                       .999     .999     .999     .999
199              
200                        mok =   96246                nwarn =       2       0       0
201              
202              ********************************************************************************
203              
204                                        total average for  10 blocks
205              
206                                          dst  =    .1503 ( .0007)
207                mu   =    .0000 ( .0000)  qm   =    .0000 ( .0000)  hex  =    .0000 ( .0000)
208                rmsp =   1.4683 ( .0108)                            rmsn =   1.4683 ( .0108)
209              
210                                      norm =    .97244     (.58685E-03)
211 gaskelld 1.1                                   .00000E+00 (.00000E+00)
212                                                .00000E+00 (.00000E+00)
213              
214              ********************************************************************************
215              
216                  energy calculation time =  1942.940 seconds
217              
218                  total flops =   264941761978.
219              
220                  energy calculation speed = 136.361 Mflops
221              
222                  total job time =  1945.480 seconds

Analyzer/Replay: Mark Jones, Documents: Stephen Wood
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