iterations/neb0_image04_iter114_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 0.370596053477E+03 0.37060E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.401542114738E+01 -0.36658E+03 -0.35469E+03 858 0.195E+02
DAV: 3 -0.955368351029E+02 -0.99552E+02 -0.99239E+02 685 0.116E+02
DAV: 4 -0.999027055632E+02 -0.43659E+01 -0.43551E+01 704 0.277E+01
DAV: 5 -0.999866869882E+02 -0.83981E-01 -0.83942E-01 720 0.347E+00 0.222E+01
DAV: 6 -0.914359146640E+02 0.85508E+01 -0.30049E+01 696 0.295E+01 0.116E+01
DAV: 7 -0.905765510311E+02 0.85936E+00 -0.17690E+00 704 0.628E+00 0.480E+00
DAV: 8 -0.901784808925E+02 0.39807E+00 -0.55856E-01 712 0.421E+00 0.165E+00
DAV: 9 -0.900842763144E+02 0.94205E-01 -0.13202E-01 712 0.177E+00 0.443E-01
DAV: 10 -0.900747379466E+02 0.95384E-02 -0.56250E-02 709 0.134E+00 0.350E-01
DAV: 11 -0.900790748729E+02 -0.43369E-02 -0.16739E-02 616 0.780E-01 0.165E-01
DAV: 12 -0.900797593112E+02 -0.68444E-03 -0.44514E-03 655 0.366E-01 0.140E-01
DAV: 13 -0.900838714698E+02 -0.41122E-02 -0.60625E-03 829 0.577E-01 0.101E-01
DAV: 14 -0.900867639013E+02 -0.28924E-02 -0.14508E-03 677 0.212E-01 0.757E-02
DAV: 15 -0.900888319219E+02 -0.20680E-02 -0.65641E-04 669 0.146E-01 0.303E-02
DAV: 16 -0.900906591867E+02 -0.18273E-02 -0.35505E-04 696 0.101E-01 0.279E-02
DAV: 17 -0.900918335249E+02 -0.11743E-02 -0.10794E-04 599 0.438E-02 0.234E-02
DAV: 18 -0.900922966357E+02 -0.46311E-03 -0.11914E-04 656 0.614E-02 0.656E-03
DAV: 19 -0.900924110932E+02 -0.11446E-03 -0.12441E-05 496 0.205E-02 0.713E-03
DAV: 20 -0.900925016114E+02 -0.90518E-04 -0.12411E-05 433 0.179E-02 0.686E-03
DAV: 21 -0.900925230759E+02 -0.21464E-04 -0.28491E-06 493 0.116E-02 0.449E-03
DAV: 22 -0.900925445903E+02 -0.21514E-04 -0.90551E-06 398 0.183E-02 0.238E-03
DAV: 23 -0.900925529033E+02 -0.83131E-05 -0.19653E-06 480 0.691E-03
1 F= -.90092553E+02 E0= -.90096885E+02 d E =0.129967E-01