iterations/neb0_image05_iter285_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 0.368340057264E+03 0.36834E+03 -0.14315E+04 624 0.799E+02
DAV: 2 0.481070790745E+01 -0.36353E+03 -0.34997E+03 837 0.196E+02
DAV: 3 -0.951980722417E+02 -0.10001E+03 -0.99662E+02 640 0.117E+02
DAV: 4 -0.100170701983E+03 -0.49726E+01 -0.49596E+01 704 0.304E+01
DAV: 5 -0.100271572090E+03 -0.10087E+00 -0.10083E+00 744 0.388E+00 0.223E+01
DAV: 6 -0.915846097981E+02 0.86870E+01 -0.31073E+01 688 0.301E+01 0.118E+01
DAV: 7 -0.907573152240E+02 0.82729E+00 -0.17908E+00 712 0.655E+00 0.485E+00
DAV: 8 -0.903700071257E+02 0.38731E+00 -0.52256E-01 720 0.444E+00 0.180E+00
DAV: 9 -0.902836072012E+02 0.86400E-01 -0.14796E-01 728 0.197E+00 0.542E-01
DAV: 10 -0.902717571896E+02 0.11850E-01 -0.27641E-02 720 0.907E-01 0.329E-01
DAV: 11 -0.902728439174E+02 -0.10867E-02 -0.13487E-02 704 0.604E-01 0.207E-01
DAV: 12 -0.902756352854E+02 -0.27914E-02 -0.40682E-03 728 0.402E-01 0.108E-01
DAV: 13 -0.902784374454E+02 -0.28022E-02 -0.13929E-03 632 0.205E-01 0.100E-01
DAV: 14 -0.902824245777E+02 -0.39871E-02 -0.17619E-03 726 0.254E-01 0.497E-02
DAV: 15 -0.902850702116E+02 -0.26456E-02 -0.47501E-04 680 0.110E-01 0.399E-02
DAV: 16 -0.902877155195E+02 -0.26453E-02 -0.52977E-04 703 0.139E-01 0.247E-02
DAV: 17 -0.902886194834E+02 -0.90396E-03 -0.11742E-04 712 0.570E-02 0.199E-02
DAV: 18 -0.902893272241E+02 -0.70774E-03 -0.15183E-04 660 0.712E-02 0.957E-03
DAV: 19 -0.902895098338E+02 -0.18261E-03 -0.36779E-05 632 0.328E-02 0.813E-03
DAV: 20 -0.902895663754E+02 -0.56542E-04 -0.60658E-06 480 0.142E-02 0.471E-03
DAV: 21 -0.902896171517E+02 -0.50776E-04 -0.15473E-05 486 0.216E-02 0.365E-03
DAV: 22 -0.902896262581E+02 -0.91064E-05 -0.19551E-06 485 0.821E-03
1 F= -.90289626E+02 E0= -.90297874E+02 d E =0.247428E-01