iterations/neb0_image09_iter229_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 0.373984052629E+03 0.37398E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.329474233067E+01 -0.37069E+03 -0.35808E+03 869 0.196E+02
DAV: 3 -0.967188173859E+02 -0.10001E+03 -0.99684E+02 661 0.117E+02
DAV: 4 -0.101251990241E+03 -0.45332E+01 -0.45225E+01 720 0.287E+01
DAV: 5 -0.101341038894E+03 -0.89049E-01 -0.89008E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926747225221E+02 0.86663E+01 -0.30987E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918096203627E+02 0.86510E+00 -0.17171E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914344644040E+02 0.37516E+00 -0.54464E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913536789531E+02 0.80785E-01 -0.13174E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913455563573E+02 0.81226E-02 -0.43818E-02 760 0.108E+00 0.299E-01
DAV: 11 -0.913498962826E+02 -0.43399E-02 -0.11632E-02 608 0.561E-01 0.131E-01
DAV: 12 -0.913531559790E+02 -0.32597E-02 -0.28450E-03 623 0.243E-01 0.108E-01
DAV: 13 -0.913566064424E+02 -0.34505E-02 -0.11805E-03 674 0.188E-01 0.430E-02
DAV: 14 -0.913598456287E+02 -0.32392E-02 -0.71582E-04 664 0.144E-01 0.383E-02
DAV: 15 -0.913611394339E+02 -0.12938E-02 -0.13401E-04 752 0.826E-02 0.330E-02
DAV: 16 -0.913625913062E+02 -0.14519E-02 -0.30343E-04 648 0.835E-02 0.159E-02
DAV: 17 -0.913630463489E+02 -0.45504E-03 -0.56536E-05 680 0.473E-02 0.130E-02
DAV: 18 -0.913633135069E+02 -0.26716E-03 -0.48906E-05 581 0.316E-02 0.888E-03
DAV: 19 -0.913633556568E+02 -0.42150E-04 -0.57232E-06 512 0.155E-02 0.462E-03
DAV: 20 -0.913633888585E+02 -0.33202E-04 -0.10110E-05 415 0.197E-02 0.266E-03
DAV: 21 -0.913634012980E+02 -0.12439E-04 -0.25145E-06 464 0.785E-03 0.311E-03
DAV: 22 -0.913634050323E+02 -0.37344E-05 -0.68742E-07 472 0.584E-03
1 F= -.91363405E+02 E0= -.91368164E+02 d E =0.142783E-01