./iterations/neb0_image07_iter19_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 0.365657020457E+03 0.36566E+03 -0.14266E+04 632 0.799E+02
DAV: 2 0.278769485418E+01 -0.36287E+03 -0.35033E+03 861 0.194E+02
DAV: 3 -0.956265673444E+02 -0.98414E+02 -0.98052E+02 688 0.115E+02
DAV: 4 -0.998545804443E+02 -0.42280E+01 -0.42143E+01 736 0.271E+01
DAV: 5 -0.999379629989E+02 -0.83383E-01 -0.83349E-01 736 0.342E+00 0.219E+01
DAV: 6 -0.914117090296E+02 0.85263E+01 -0.30918E+01 712 0.303E+01 0.114E+01
DAV: 7 -0.906086495317E+02 0.80306E+00 -0.16720E+00 728 0.647E+00 0.475E+00
DAV: 8 -0.902438016117E+02 0.36485E+00 -0.62830E-01 696 0.430E+00 0.167E+00
DAV: 9 -0.901604330288E+02 0.83369E-01 -0.12786E-01 717 0.164E+00 0.470E-01
DAV: 10 -0.901503908223E+02 0.10042E-01 -0.29024E-02 720 0.787E-01 0.278E-01
DAV: 11 -0.901548045533E+02 -0.44137E-02 -0.13790E-02 602 0.734E-01 0.204E-01
DAV: 12 -0.901553949205E+02 -0.59037E-03 -0.34424E-03 704 0.379E-01 0.112E-01
DAV: 13 -0.901602558911E+02 -0.48610E-02 -0.51979E-03 686 0.452E-01 0.112E-01
DAV: 14 -0.901615947379E+02 -0.13388E-02 -0.98662E-04 888 0.240E-01 0.628E-02
DAV: 15 -0.901639746921E+02 -0.23800E-02 -0.11237E-03 650 0.207E-01 0.359E-02
DAV: 16 -0.901659229908E+02 -0.19483E-02 -0.21560E-04 666 0.890E-02 0.269E-02
DAV: 17 -0.901668896755E+02 -0.96668E-03 -0.12617E-04 685 0.576E-02 0.900E-03
DAV: 18 -0.901675816175E+02 -0.69194E-03 -0.77507E-05 609 0.369E-02 0.858E-03
DAV: 19 -0.901677003281E+02 -0.11871E-03 -0.66441E-06 504 0.167E-02 0.512E-03
DAV: 20 -0.901677783085E+02 -0.77980E-04 -0.13757E-05 438 0.174E-02 0.280E-03
DAV: 21 -0.901677792048E+02 -0.89627E-06 -0.15658E-06 544 0.662E-03
1 F= -.90167779E+02 E0= -.90172575E+02 d E =0.143861E-01