./iterations/neb0_image07_iter267_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.371354630267E+03 0.37135E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.368259204622E+01 -0.36767E+03 -0.35625E+03 866 0.194E+02
DAV: 3 -0.964748693646E+02 -0.10016E+03 -0.99842E+02 672 0.116E+02
DAV: 4 -0.101176572855E+03 -0.47017E+01 -0.46902E+01 712 0.292E+01
DAV: 5 -0.101269176041E+03 -0.92603E-01 -0.92561E-01 728 0.372E+00 0.227E+01
DAV: 6 -0.926236998472E+02 0.86455E+01 -0.30967E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917672391986E+02 0.85646E+00 -0.17087E+00 736 0.614E+00 0.480E+00
DAV: 8 -0.913913030379E+02 0.37594E+00 -0.54396E-01 728 0.398E+00 0.162E+00
DAV: 9 -0.913082559067E+02 0.83047E-01 -0.12832E-01 720 0.153E+00 0.421E-01
DAV: 10 -0.912990043235E+02 0.92516E-02 -0.43808E-02 733 0.105E+00 0.298E-01
DAV: 11 -0.913038966588E+02 -0.48923E-02 -0.13929E-02 616 0.600E-01 0.160E-01
DAV: 12 -0.913068207994E+02 -0.29241E-02 -0.28562E-03 618 0.247E-01 0.102E-01
DAV: 13 -0.913105511157E+02 -0.37303E-02 -0.19474E-03 649 0.222E-01 0.497E-02
DAV: 14 -0.913141827502E+02 -0.36316E-02 -0.10476E-03 690 0.213E-01 0.424E-02
DAV: 15 -0.913153884442E+02 -0.12057E-02 -0.29741E-04 680 0.996E-02 0.307E-02
DAV: 16 -0.913160499379E+02 -0.66149E-03 -0.16996E-04 725 0.841E-02 0.114E-02
DAV: 17 -0.913169553168E+02 -0.90538E-03 -0.10139E-04 636 0.461E-02 0.141E-02
DAV: 18 -0.913171532105E+02 -0.19789E-03 -0.12182E-05 496 0.177E-02 0.102E-02
DAV: 19 -0.913173271673E+02 -0.17396E-03 -0.46323E-05 611 0.378E-02 0.518E-03
DAV: 20 -0.913173347731E+02 -0.76058E-05 -0.37972E-06 536 0.121E-02
1 F= -.91317335E+02 E0= -.91321812E+02 d E =0.134313E-01