iterations/neb0_image03_iter176_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 0.364152229311E+03 0.36415E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.177533530097E+00 -0.36397E+03 -0.35390E+03 855 0.195E+02
DAV: 3 -0.960862088554E+02 -0.96264E+02 -0.95955E+02 672 0.115E+02
DAV: 4 -0.100254439666E+03 -0.41682E+01 -0.41567E+01 720 0.275E+01
DAV: 5 -0.100335732949E+03 -0.81293E-01 -0.81257E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.917175532421E+02 0.86182E+01 -0.30954E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908758065314E+02 0.84175E+00 -0.18027E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904784387000E+02 0.39737E+00 -0.54558E-01 704 0.424E+00 0.169E+00
DAV: 9 -0.903816092249E+02 0.96829E-01 -0.13430E-01 704 0.196E+00 0.442E-01
DAV: 10 -0.903740218024E+02 0.75874E-02 -0.42069E-02 712 0.110E+00 0.338E-01
DAV: 11 -0.903789352377E+02 -0.49134E-02 -0.15246E-02 608 0.807E-01 0.191E-01
DAV: 12 -0.903797729471E+02 -0.83771E-03 -0.54979E-03 704 0.500E-01 0.121E-01
DAV: 13 -0.903842566611E+02 -0.44837E-02 -0.39128E-03 639 0.363E-01 0.940E-02
DAV: 14 -0.903871330751E+02 -0.28764E-02 -0.70304E-04 677 0.151E-01 0.504E-02
DAV: 15 -0.903899347978E+02 -0.28017E-02 -0.70225E-04 650 0.137E-01 0.234E-02
DAV: 16 -0.903915623919E+02 -0.16276E-02 -0.15056E-04 680 0.602E-02 0.170E-02
DAV: 17 -0.903925856176E+02 -0.10232E-02 -0.12885E-04 650 0.627E-02 0.116E-02
DAV: 18 -0.903931074951E+02 -0.52188E-03 -0.70560E-05 661 0.437E-02 0.937E-03
DAV: 19 -0.903931774059E+02 -0.69911E-04 -0.93795E-06 528 0.215E-02 0.521E-03
DAV: 20 -0.903932914987E+02 -0.11409E-03 -0.24965E-05 481 0.279E-02 0.484E-03
DAV: 21 -0.903933216433E+02 -0.30145E-04 -0.38082E-06 496 0.111E-02 0.456E-03
DAV: 22 -0.903933333475E+02 -0.11704E-04 -0.31016E-06 456 0.101E-02 0.229E-03
DAV: 23 -0.903933408912E+02 -0.75437E-05 -0.24670E-06 456 0.988E-03
1 F= -.90393341E+02 E0= -.90401843E+02 d E =0.255066E-01