iterations/neb0_image06_iter7_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 0.360464803153E+03 0.36046E+03 -0.14171E+04 624 0.799E+02
DAV: 2 0.573975146331E+01 -0.35473E+03 -0.34178E+03 866 0.192E+02
DAV: 3 -0.914749277761E+02 -0.97215E+02 -0.96632E+02 688 0.114E+02
DAV: 4 -0.962582930070E+02 -0.47834E+01 -0.47609E+01 696 0.281E+01
DAV: 5 -0.963650628503E+02 -0.10677E+00 -0.10670E+00 728 0.371E+00 0.215E+01
DAV: 6 -0.879496171598E+02 0.84154E+01 -0.32573E+01 693 0.316E+01 0.113E+01
DAV: 7 -0.872413040672E+02 0.70831E+00 -0.19336E+00 728 0.768E+00 0.494E+00
DAV: 8 -0.868513550188E+02 0.38995E+00 -0.64025E-01 720 0.446E+00 0.175E+00
DAV: 9 -0.867720292693E+02 0.79326E-01 -0.15458E-01 717 0.183E+00 0.645E-01
DAV: 10 -0.867636585896E+02 0.83707E-02 -0.46728E-02 784 0.140E+00 0.548E-01
DAV: 11 -0.867578805272E+02 0.57781E-02 -0.12684E-02 776 0.628E-01 0.287E-01
DAV: 12 -0.867610839891E+02 -0.32035E-02 -0.15462E-02 654 0.747E-01 0.202E-01
DAV: 13 -0.867634484070E+02 -0.23644E-02 -0.23684E-03 687 0.317E-01 0.127E-01
DAV: 14 -0.867673651230E+02 -0.39167E-02 -0.40561E-03 635 0.368E-01 0.868E-02
DAV: 15 -0.867692119230E+02 -0.18468E-02 -0.62331E-04 752 0.176E-01 0.469E-02
DAV: 16 -0.867713636343E+02 -0.21517E-02 -0.71200E-04 642 0.151E-01 0.302E-02
DAV: 17 -0.867726850288E+02 -0.13214E-02 -0.11170E-04 688 0.726E-02 0.203E-02
DAV: 18 -0.867734129143E+02 -0.72789E-03 -0.13821E-04 677 0.652E-02 0.141E-02
DAV: 19 -0.867738442473E+02 -0.43133E-03 -0.44258E-05 661 0.415E-02 0.108E-02
DAV: 20 -0.867739869632E+02 -0.14272E-03 -0.14533E-05 496 0.219E-02 0.631E-03
DAV: 21 -0.867741068652E+02 -0.11990E-03 -0.24654E-05 487 0.245E-02 0.391E-03
DAV: 22 -0.867741294411E+02 -0.22576E-04 -0.24752E-06 512 0.871E-03 0.301E-03
DAV: 23 -0.867741538884E+02 -0.24447E-04 -0.53305E-06 400 0.126E-02 0.180E-03
DAV: 24 -0.867741571551E+02 -0.32667E-05 -0.15030E-06 496 0.689E-03
1 F= -.86774157E+02 E0= -.86782189E+02 d E =0.240962E-01