iterations/neb0_image02_iter268_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 0.365882840687E+03 0.36588E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.710575395732E+00 -0.36517E+03 -0.35442E+03 869 0.195E+02
DAV: 3 -0.955749418939E+02 -0.96286E+02 -0.95954E+02 624 0.116E+02
DAV: 4 -0.100237303498E+03 -0.46624E+01 -0.46524E+01 712 0.299E+01
DAV: 5 -0.100330661633E+03 -0.93358E-01 -0.93327E-01 736 0.379E+00 0.222E+01
DAV: 6 -0.916772427873E+02 0.86534E+01 -0.30914E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908522073903E+02 0.82504E+00 -0.18065E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904722567004E+02 0.37995E+00 -0.56087E-01 704 0.432E+00 0.169E+00
DAV: 9 -0.903888982385E+02 0.83358E-01 -0.13286E-01 720 0.165E+00 0.427E-01
DAV: 10 -0.903846524816E+02 0.42458E-02 -0.47727E-02 712 0.124E+00 0.326E-01
DAV: 11 -0.903884258260E+02 -0.37733E-02 -0.73987E-03 621 0.582E-01 0.118E-01
DAV: 12 -0.903915454792E+02 -0.31197E-02 -0.66033E-03 632 0.422E-01 0.134E-01
DAV: 13 -0.903941050606E+02 -0.25596E-02 -0.19382E-03 877 0.335E-01 0.800E-02
DAV: 14 -0.903971276813E+02 -0.30226E-02 -0.12709E-03 615 0.170E-01 0.699E-02
DAV: 15 -0.903988658507E+02 -0.17382E-02 -0.29585E-04 688 0.102E-01 0.517E-02
DAV: 16 -0.904003117054E+02 -0.14459E-02 -0.98711E-04 672 0.186E-01 0.387E-02
DAV: 17 -0.904008622436E+02 -0.55054E-03 -0.11367E-04 680 0.775E-02 0.284E-02
DAV: 18 -0.904011734208E+02 -0.31118E-03 -0.11535E-04 661 0.556E-02 0.766E-03
DAV: 19 -0.904013694714E+02 -0.19605E-03 -0.28670E-05 537 0.260E-02 0.582E-03
DAV: 20 -0.904014092577E+02 -0.39786E-04 -0.43042E-06 496 0.127E-02 0.643E-03
DAV: 21 -0.904014551722E+02 -0.45915E-04 -0.10169E-05 412 0.189E-02 0.362E-03
DAV: 22 -0.904014607659E+02 -0.55937E-05 -0.49141E-06 496 0.130E-02
1 F= -.90401461E+02 E0= -.90407936E+02 d E =0.194258E-01