iterations/neb0_image04_iter68_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144865811065E+04 0.14487E+04 -0.44203E+04 330 0.697E+02
DAV: 2 0.223842151262E+03 -0.12248E+04 -0.11489E+04 435 0.163E+02
DAV: 3 -0.363028667666E+03 -0.58687E+03 -0.58381E+03 345 0.114E+02
DAV: 4 -0.433381131472E+03 -0.70352E+02 -0.70113E+02 309 0.508E+01
DAV: 5 -0.434970344630E+03 -0.15892E+01 -0.15867E+01 318 0.782E+00 0.426E+01
DAV: 6 -0.389044709264E+03 0.45926E+02 -0.14792E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385579762369E+03 0.34649E+01 -0.13369E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384106686013E+03 0.14731E+01 -0.20623E+00 327 0.383E+00 0.430E+00
DAV: 9 -0.383545687588E+03 0.56100E+00 -0.89119E-01 336 0.216E+00 0.113E+00
DAV: 10 -0.383498159794E+03 0.47528E-01 -0.36020E-01 327 0.106E+00 0.978E-01
DAV: 11 -0.383467986704E+03 0.30173E-01 -0.13166E-01 336 0.619E-01 0.662E-01
DAV: 12 -0.383446272047E+03 0.21715E-01 -0.18832E-02 327 0.450E-01 0.523E-01
DAV: 13 -0.383429108322E+03 0.17164E-01 -0.10829E-01 318 0.521E-01 0.611E-01
DAV: 14 -0.383430008476E+03 -0.90015E-03 -0.11337E-01 345 0.405E-01 0.709E-01
DAV: 15 -0.383426644061E+03 0.33644E-02 -0.93735E-03 327 0.311E-01 0.396E-01
DAV: 16 -0.383429816672E+03 -0.31726E-02 -0.51433E-03 309 0.221E-01 0.266E-01
DAV: 17 -0.383439390312E+03 -0.95736E-02 -0.48048E-03 318 0.205E-01 0.121E-01
DAV: 18 -0.383449220410E+03 -0.98301E-02 -0.24863E-03 309 0.155E-01 0.899E-02
DAV: 19 -0.383456581045E+03 -0.73606E-02 -0.11342E-03 318 0.881E-02 0.139E-01
DAV: 20 -0.383463665333E+03 -0.70843E-02 -0.65876E-04 318 0.560E-02 0.850E-02
DAV: 21 -0.383472323785E+03 -0.86585E-02 -0.70638E-04 309 0.628E-02 0.293E-02
DAV: 22 -0.383473248720E+03 -0.92493E-03 -0.12453E-04 309 0.268E-02 0.205E-02
DAV: 23 -0.383475945183E+03 -0.26965E-02 -0.12350E-04 291 0.237E-02 0.397E-02
DAV: 24 -0.383478167677E+03 -0.22225E-02 -0.12983E-04 309 0.219E-02 0.322E-02
DAV: 25 -0.383478881765E+03 -0.71409E-03 -0.50240E-05 318 0.168E-02 0.163E-02
DAV: 26 -0.383479063223E+03 -0.18146E-03 -0.77724E-06 255 0.747E-03 0.837E-03
DAV: 27 -0.383479198760E+03 -0.13554E-03 -0.39365E-06 219 0.552E-03 0.437E-03
DAV: 28 -0.383479478992E+03 -0.28023E-03 -0.11792E-05 219 0.832E-03 0.434E-03
DAV: 29 -0.383479578649E+03 -0.99658E-04 -0.42303E-06 228 0.495E-03 0.325E-03
DAV: 30 -0.383479617482E+03 -0.38832E-04 -0.18561E-06 228 0.349E-03 0.191E-03
DAV: 31 -0.383479661458E+03 -0.43976E-04 -0.17734E-06 201 0.315E-03 0.126E-03
DAV: 32 -0.383479676520E+03 -0.15063E-04 -0.69631E-07 228 0.186E-03 0.132E-03
DAV: 33 -0.383479689286E+03 -0.12766E-04 -0.44859E-07 210 0.143E-03 0.591E-04
DAV: 34 -0.383479697993E+03 -0.87068E-05 -0.32839E-07 219 0.108E-03
1 F= -.38347970E+03 E0= -.38349321E+03 d E =0.405404E-01