iterations/neb0_image07_iter103_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 0.377642725618E+03 0.37764E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.341141975800E+01 -0.37423E+03 -0.36226E+03 877 0.196E+02
DAV: 3 -0.964023538024E+02 -0.99814E+02 -0.99479E+02 656 0.117E+02
DAV: 4 -0.101003850922E+03 -0.46015E+01 -0.45906E+01 696 0.290E+01
DAV: 5 -0.101096033997E+03 -0.92183E-01 -0.92145E-01 728 0.370E+00 0.228E+01
DAV: 6 -0.924244151052E+02 0.86716E+01 -0.30693E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.915444149603E+02 0.88000E+00 -0.16886E+00 728 0.615E+00 0.482E+00
DAV: 8 -0.911615812174E+02 0.38283E+00 -0.55961E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.910774739573E+02 0.84107E-01 -0.13225E-01 728 0.155E+00 0.427E-01
DAV: 10 -0.910681866753E+02 0.92873E-02 -0.47454E-02 741 0.112E+00 0.309E-01
DAV: 11 -0.910726773995E+02 -0.44907E-02 -0.12061E-02 608 0.578E-01 0.134E-01
DAV: 12 -0.910759679907E+02 -0.32906E-02 -0.36385E-03 621 0.279E-01 0.147E-01
DAV: 13 -0.910797280842E+02 -0.37601E-02 -0.26829E-03 728 0.323E-01 0.557E-02
DAV: 14 -0.910822943349E+02 -0.25663E-02 -0.62795E-04 653 0.116E-01 0.592E-02
DAV: 15 -0.910848577263E+02 -0.25634E-02 -0.30427E-04 645 0.884E-02 0.349E-02
DAV: 16 -0.910859202268E+02 -0.10625E-02 -0.42137E-04 680 0.102E-01 0.306E-02
DAV: 17 -0.910864034399E+02 -0.48321E-03 -0.11959E-04 645 0.714E-02 0.108E-02
DAV: 18 -0.910865737604E+02 -0.17032E-03 -0.27446E-05 592 0.269E-02 0.751E-03
DAV: 19 -0.910866478950E+02 -0.74135E-04 -0.10926E-05 432 0.202E-02 0.240E-03
DAV: 20 -0.910866974291E+02 -0.49534E-04 -0.77716E-06 428 0.129E-02 0.268E-03
DAV: 21 -0.910867065728E+02 -0.91437E-05 -0.12783E-06 520 0.552E-03
1 F= -.91086707E+02 E0= -.91091604E+02 d E =0.146921E-01