N E dE d eps ncg rms rms(c)
DAV: 1 0.645513331185E+04 0.64551E+04 -0.49534E+05 1614 0.109E+03
DAV: 2 -0.133979091167E+04 -0.77949E+04 -0.75056E+04 1972 0.273E+02
DAV: 3 -0.219486615495E+04 -0.85508E+03 -0.83821E+03 1956 0.930E+01
DAV: 4 -0.222148738431E+04 -0.26621E+02 -0.26334E+02 2004 0.165E+01
DAV: 5 -0.222228877903E+04 -0.80139E+00 -0.79885E+00 1964 0.268E+00 0.961E+01
DAV: 6 -0.197348678609E+04 0.24880E+03 -0.10255E+03 1908 0.324E+01 0.538E+01
DAV: 7 -0.197457713297E+04 -0.10903E+01 -0.14900E+02 2133 0.153E+01 0.334E+01
DAV: 8 -0.195512925203E+04 0.19448E+02 -0.53199E+01 2164 0.116E+01 0.207E+01
DAV: 9 -0.195442109635E+04 0.70816E+00 -0.37804E+01 2028 0.775E+00 0.196E+01
DAV: 10 -0.195141595501E+04 0.30051E+01 -0.85424E+00 2044 0.425E+00 0.852E+00
DAV: 11 -0.195073841529E+04 0.67754E+00 -0.55533E+00 2116 0.287E+00 0.622E+00
DAV: 12 -0.195033815157E+04 0.40026E+00 -0.26537E+00 2068 0.171E+00 0.307E+00
DAV: 13 -0.195032932836E+04 0.88232E-02 -0.13561E+00 1956 0.990E-01 0.280E+00
DAV: 14 -0.195028288812E+04 0.46440E-01 -0.63424E-01 1956 0.663E-01 0.184E+00
DAV: 15 -0.195026554698E+04 0.17341E-01 -0.40283E-01 2068 0.507E-01 0.132E+00
DAV: 16 -0.195025884654E+04 0.67004E-02 -0.11337E-01 1972 0.317E-01 0.731E-01
DAV: 17 -0.195026177007E+04 -0.29235E-02 -0.37619E-02 1924 0.190E-01 0.550E-01
DAV: 18 -0.195026070934E+04 0.10607E-02 -0.10685E-02 1884 0.110E-01 0.205E-01
DAV: 19 -0.195026173692E+04 -0.10276E-02 -0.47921E-03 1932 0.663E-02 0.175E-01
DAV: 20 -0.195026203833E+04 -0.30141E-03 -0.21760E-03 1932 0.447E-02 0.128E-01
DAV: 21 -0.195026209837E+04 -0.60037E-04 -0.83932E-04 1948 0.311E-02 0.627E-02
DAV: 22 -0.195026218068E+04 -0.82310E-04 -0.41389E-04 1892 0.207E-02 0.455E-02
DAV: 23 -0.195026220569E+04 -0.25009E-04 -0.18874E-04 1812 0.134E-02 0.242E-02
DAV: 24 -0.195026221431E+04 -0.86204E-05 -0.51867E-05 1292 0.756E-03
1 T= 344. E= -.19334181E+04 F= -.19502622E+04 E0= -.19502125E+04 EK= 0.16844E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196077495718E+04 -0.10513E+02 -0.47602E+02 1614 0.269E+01 0.897E+00
DAV: 2 -0.196237484054E+04 -0.15999E+01 -0.21606E+01 2012 0.525E+00 0.947E+00
DAV: 3 -0.196100672142E+04 0.13681E+01 -0.68010E+00 2140 0.281E+00 0.572E+00
DAV: 4 -0.196089008770E+04 0.11663E+00 -0.27918E+00 2068 0.157E+00 0.487E+00
DAV: 5 -0.196069714005E+04 0.19295E+00 -0.22755E+00 1988 0.113E+00 0.260E+00
DAV: 6 -0.196062852538E+04 0.68615E-01 -0.45152E-01 2012 0.718E-01 0.161E+00
DAV: 7 -0.196061532821E+04 0.13197E-01 -0.20784E-01 1996 0.470E-01 0.114E+00
DAV: 8 -0.196060951630E+04 0.58119E-02 -0.13224E-01 2140 0.369E-01 0.739E-01
DAV: 9 -0.196060380679E+04 0.57095E-02 -0.58220E-02 2004 0.234E-01 0.388E-01
DAV: 10 -0.196060213056E+04 0.16762E-02 -0.11960E-02 1996 0.116E-01 0.161E-01
DAV: 11 -0.196060195575E+04 0.17482E-03 -0.28991E-03 1956 0.603E-02 0.989E-02
DAV: 12 -0.196060197699E+04 -0.21239E-04 -0.14415E-03 1980 0.353E-02 0.883E-02
DAV: 13 -0.196060191452E+04 0.62464E-04 -0.58473E-04 1940 0.204E-02 0.466E-02
DAV: 14 -0.196060191350E+04 0.10194E-05 -0.18131E-04 1908 0.161E-02 0.296E-02
DAV: 15 -0.196060191089E+04 0.26157E-05 -0.78135E-05 1812 0.104E-02
2 T= 555. E= -.19334173E+04 F= -.19606019E+04 E0= -.19605519E+04 EK= 0.27185E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197482532875E+04 -0.14223E+02 -0.22707E+02 1614 0.198E+01 0.678E+00
DAV: 2 -0.197553585979E+04 -0.71053E+00 -0.14428E+01 1964 0.444E+00 0.477E+00
DAV: 3 -0.197541403915E+04 0.12182E+00 -0.13284E+00 2036 0.162E+00 0.414E+00
DAV: 4 -0.197539026598E+04 0.23773E-01 -0.18581E+00 2124 0.103E+00 0.387E+00
DAV: 5 -0.197528025243E+04 0.11001E+00 -0.94348E-01 2164 0.823E-01 0.187E+00
DAV: 6 -0.197526046933E+04 0.19783E-01 -0.25782E-01 2028 0.567E-01 0.111E+00
DAV: 7 -0.197524919721E+04 0.11272E-01 -0.11033E-01 2076 0.334E-01 0.612E-01
DAV: 8 -0.197524795588E+04 0.12413E-02 -0.62558E-02 2020 0.191E-01 0.482E-01
DAV: 9 -0.197524628485E+04 0.16710E-02 -0.37436E-02 2012 0.124E-01 0.291E-01
DAV: 10 -0.197524535542E+04 0.92943E-03 -0.81965E-03 1972 0.749E-02 0.108E-01
DAV: 11 -0.197524535922E+04 -0.38037E-05 -0.18307E-03 1956 0.438E-02 0.772E-02
DAV: 12 -0.197524530384E+04 0.55385E-04 -0.56719E-04 1940 0.249E-02 0.371E-02
DAV: 13 -0.197524531190E+04 -0.80617E-05 -0.13870E-04 1884 0.142E-02 0.232E-02
DAV: 14 -0.197524531364E+04 -0.17443E-05 -0.57917E-05 1380 0.907E-03
3 T= 853. E= -.19334558E+04 F= -.19752453E+04 E0= -.19752098E+04 EK= 0.41789E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.199358198885E+04 -0.18337E+02 -0.23308E+02 1646 0.222E+01 0.601E+00
DAV: 2 -0.199514903894E+04 -0.15671E+01 -0.18714E+01 1956 0.498E+00 0.603E+00
DAV: 3 -0.199488040815E+04 0.26863E+00 -0.35407E+00 2124 0.167E+00 0.450E+00
DAV: 4 -0.199471687576E+04 0.16353E+00 -0.13477E+00 2100 0.103E+00 0.257E+00
DAV: 5 -0.199474063001E+04 -0.23754E-01 -0.65624E-01 2020 0.715E-01 0.250E+00
DAV: 6 -0.199473809249E+04 0.25375E-02 -0.38597E-01 1996 0.519E-01 0.172E+00
DAV: 7 -0.199470083474E+04 0.37258E-01 -0.31167E-01 2004 0.377E-01 0.645E-01
DAV: 8 -0.199470113468E+04 -0.29994E-03 -0.39449E-02 2004 0.219E-01 0.418E-01
DAV: 9 -0.199470016081E+04 0.97387E-03 -0.16635E-02 2020 0.145E-01 0.224E-01
DAV: 10 -0.199469988533E+04 0.27547E-03 -0.46390E-03 1940 0.777E-02 0.116E-01
DAV: 11 -0.199469986087E+04 0.24468E-04 -0.14169E-03 1988 0.410E-02 0.796E-02
DAV: 12 -0.199469983880E+04 0.22065E-04 -0.48143E-04 1956 0.246E-02 0.423E-02
DAV: 13 -0.199469985199E+04 -0.13184E-04 -0.16542E-04 1948 0.154E-02 0.310E-02
DAV: 14 -0.199469984853E+04 0.34512E-05 -0.58848E-05 1420 0.977E-03
4 T= 1245. E= -.19337165E+04 F= -.19946998E+04 E0= -.19946660E+04 EK= 0.60983E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.201062111304E+04 -0.15921E+02 -0.51428E+02 1622 0.314E+01 0.794E+00
DAV: 2 -0.201277490324E+04 -0.21538E+01 -0.27850E+01 1948 0.591E+00 0.670E+00