iterations/neb0_image07_iter16_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 0.366600414598E+03 0.36660E+03 -0.14227E+04 624 0.799E+02
DAV: 2 0.240620702957E+01 -0.36419E+03 -0.35210E+03 877 0.194E+02
DAV: 3 -0.954492140502E+02 -0.97855E+02 -0.97489E+02 688 0.115E+02
DAV: 4 -0.996634823821E+02 -0.42143E+01 -0.42002E+01 728 0.271E+01
DAV: 5 -0.997484515294E+02 -0.84969E-01 -0.84927E-01 720 0.344E+00 0.218E+01
DAV: 6 -0.912187054306E+02 0.85297E+01 -0.30881E+01 704 0.301E+01 0.114E+01
DAV: 7 -0.904056657116E+02 0.81304E+00 -0.16906E+00 728 0.667E+00 0.479E+00
DAV: 8 -0.900352200273E+02 0.37045E+00 -0.68825E-01 704 0.449E+00 0.167E+00
DAV: 9 -0.899523214090E+02 0.82899E-01 -0.13564E-01 709 0.177E+00 0.499E-01
DAV: 10 -0.899421159716E+02 0.10205E-01 -0.25155E-02 736 0.740E-01 0.281E-01
DAV: 11 -0.899451271196E+02 -0.30111E-02 -0.13455E-02 602 0.711E-01 0.183E-01
DAV: 12 -0.899464092023E+02 -0.12821E-02 -0.40906E-03 696 0.442E-01 0.102E-01
DAV: 13 -0.899509997513E+02 -0.45905E-02 -0.40263E-03 614 0.348E-01 0.107E-01
DAV: 14 -0.899530095470E+02 -0.20098E-02 -0.11908E-03 693 0.221E-01 0.479E-02
DAV: 15 -0.899559743375E+02 -0.29648E-02 -0.14091E-03 701 0.232E-01 0.581E-02
DAV: 16 -0.899571277220E+02 -0.11534E-02 -0.27327E-04 885 0.129E-01 0.272E-02
DAV: 17 -0.899578597059E+02 -0.73198E-03 -0.15469E-04 677 0.660E-02 0.921E-03
DAV: 18 -0.899585968092E+02 -0.73710E-03 -0.62981E-05 588 0.334E-02 0.805E-03
DAV: 19 -0.899588465744E+02 -0.24977E-03 -0.17199E-05 573 0.174E-02 0.584E-03
DAV: 20 -0.899589391731E+02 -0.92599E-04 -0.14118E-05 461 0.189E-02 0.249E-03
DAV: 21 -0.899589621537E+02 -0.22981E-04 -0.30525E-06 474 0.972E-03 0.117E-03
DAV: 22 -0.899589719038E+02 -0.97501E-05 -0.20494E-06 436 0.676E-03
1 F= -.89958972E+02 E0= -.89963486E+02 d E =0.135430E-01