./iterations/neb0_image08_iter23_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 0.373995417373E+03 0.37400E+03 -0.14273E+04 624 0.799E+02
DAV: 2 0.352334522650E+01 -0.37047E+03 -0.35737E+03 869 0.196E+02
DAV: 3 -0.964110234193E+02 -0.99934E+02 -0.99589E+02 672 0.117E+02
DAV: 4 -0.100915395233E+03 -0.45044E+01 -0.44928E+01 712 0.283E+01
DAV: 5 -0.101004527436E+03 -0.89132E-01 -0.89088E-01 736 0.360E+00 0.226E+01
DAV: 6 -0.923426872163E+02 0.86618E+01 -0.30693E+01 696 0.302E+01 0.118E+01
DAV: 7 -0.914766581654E+02 0.86603E+00 -0.17169E+00 720 0.626E+00 0.480E+00
DAV: 8 -0.910985210098E+02 0.37814E+00 -0.56305E-01 712 0.405E+00 0.165E+00
DAV: 9 -0.910127710877E+02 0.85750E-01 -0.13245E-01 712 0.157E+00 0.433E-01
DAV: 10 -0.910026415829E+02 0.10130E-01 -0.39496E-02 728 0.101E+00 0.288E-01
DAV: 11 -0.910071677780E+02 -0.45262E-02 -0.11019E-02 608 0.540E-01 0.150E-01
DAV: 12 -0.910099468850E+02 -0.27791E-02 -0.25357E-03 628 0.270E-01 0.852E-02
DAV: 13 -0.910137656524E+02 -0.38188E-02 -0.12153E-03 641 0.157E-01 0.578E-02
DAV: 14 -0.910172385729E+02 -0.34729E-02 -0.86694E-04 760 0.215E-01 0.416E-02
DAV: 15 -0.910186675124E+02 -0.14289E-02 -0.29973E-04 730 0.113E-01 0.344E-02
DAV: 16 -0.910199555796E+02 -0.12881E-02 -0.21747E-04 709 0.767E-02 0.178E-02
DAV: 17 -0.910207587629E+02 -0.80318E-03 -0.10391E-04 669 0.499E-02 0.116E-02
DAV: 18 -0.910210740007E+02 -0.31524E-03 -0.30024E-05 584 0.251E-02 0.733E-03
DAV: 19 -0.910212086862E+02 -0.13469E-03 -0.17693E-05 504 0.194E-02 0.309E-03
DAV: 20 -0.910212336286E+02 -0.24942E-04 -0.28109E-06 488 0.107E-02 0.112E-03
DAV: 21 -0.910212599125E+02 -0.26284E-04 -0.50138E-06 395 0.906E-03 0.207E-03
DAV: 22 -0.910212609170E+02 -0.10045E-05 -0.59002E-07 528 0.529E-03
1 F= -.91021261E+02 E0= -.91026618E+02 d E =0.160727E-01