iterations/neb0_image09_iter72_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 0.374981207774E+03 0.37498E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.256724205396E+01 -0.37241E+03 -0.36004E+03 877 0.196E+02
DAV: 3 -0.968885892562E+02 -0.99456E+02 -0.99119E+02 672 0.117E+02
DAV: 4 -0.101266666743E+03 -0.43781E+01 -0.43691E+01 696 0.280E+01
DAV: 5 -0.101352515390E+03 -0.85849E-01 -0.85811E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926753134228E+02 0.86772E+01 -0.30895E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918014671953E+02 0.87385E+00 -0.17281E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914228716621E+02 0.37860E+00 -0.54363E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913400238685E+02 0.82848E-01 -0.13202E-01 704 0.155E+00 0.425E-01
DAV: 10 -0.913311233312E+02 0.89005E-02 -0.47027E-02 784 0.114E+00 0.306E-01
DAV: 11 -0.913356601510E+02 -0.45368E-02 -0.13882E-02 616 0.617E-01 0.148E-01
DAV: 12 -0.913385255408E+02 -0.28654E-02 -0.30201E-03 620 0.242E-01 0.120E-01
DAV: 13 -0.913424682792E+02 -0.39427E-02 -0.20672E-03 720 0.246E-01 0.455E-02
DAV: 14 -0.913457835410E+02 -0.33153E-02 -0.51152E-04 661 0.123E-01 0.310E-02
DAV: 15 -0.913475082057E+02 -0.17247E-02 -0.14960E-04 672 0.630E-02 0.318E-02
DAV: 16 -0.913486529962E+02 -0.11448E-02 -0.29134E-04 661 0.865E-02 0.185E-02
DAV: 17 -0.913489060080E+02 -0.25301E-03 -0.34168E-05 624 0.420E-02 0.133E-02
DAV: 18 -0.913491489829E+02 -0.24297E-03 -0.56149E-05 623 0.383E-02 0.107E-02
DAV: 19 -0.913492233288E+02 -0.74346E-04 -0.89384E-06 480 0.242E-02 0.524E-03
DAV: 20 -0.913492585447E+02 -0.35216E-04 -0.16387E-05 448 0.232E-02 0.394E-03
DAV: 21 -0.913492796627E+02 -0.21118E-04 -0.31262E-06 450 0.954E-03 0.308E-03
DAV: 22 -0.913492852558E+02 -0.55931E-05 -0.21324E-06 434 0.100E-02
1 F= -.91349285E+02 E0= -.91354045E+02 d E =0.142796E-01