./iterations/neb0_image04_iter7_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144973977852E+04 0.14497E+04 -0.44202E+04 330 0.697E+02
DAV: 2 0.225454782610E+03 -0.12243E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362352385607E+03 -0.58781E+03 -0.58448E+03 345 0.114E+02
DAV: 4 -0.433320420681E+03 -0.70968E+02 -0.70707E+02 318 0.509E+01
DAV: 5 -0.434908611103E+03 -0.15882E+01 -0.15858E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389020054788E+03 0.45889E+02 -0.14763E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385566740903E+03 0.34533E+01 -0.13477E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384103710136E+03 0.14630E+01 -0.21552E+00 327 0.385E+00 0.434E+00
DAV: 9 -0.383563862417E+03 0.53985E+00 -0.15959E+00 327 0.241E+00 0.134E+00
DAV: 10 -0.383492391770E+03 0.71471E-01 -0.26125E-01 327 0.115E+00 0.105E+00
DAV: 11 -0.383473477886E+03 0.18914E-01 -0.31825E-01 336 0.675E-01 0.101E+00
DAV: 12 -0.383456809128E+03 0.16669E-01 -0.32599E-01 345 0.767E-01 0.911E-01
DAV: 13 -0.383430129746E+03 0.26679E-01 -0.64459E-02 354 0.559E-01 0.574E-01
DAV: 14 -0.383420750220E+03 0.93795E-02 -0.29572E-02 327 0.357E-01 0.386E-01
DAV: 15 -0.383418232866E+03 0.25174E-02 -0.28223E-02 318 0.435E-01 0.366E-01
DAV: 16 -0.383419355254E+03 -0.11224E-02 -0.63086E-03 336 0.275E-01 0.188E-01
DAV: 17 -0.383425278342E+03 -0.59231E-02 -0.35683E-03 282 0.183E-01 0.135E-01
DAV: 18 -0.383434080235E+03 -0.88019E-02 -0.26811E-03 345 0.180E-01 0.125E-01
DAV: 19 -0.383442952658E+03 -0.88724E-02 -0.33102E-03 390 0.193E-01 0.105E-01
DAV: 20 -0.383447901746E+03 -0.49491E-02 -0.16258E-03 309 0.100E-01 0.132E-01
DAV: 21 -0.383449094592E+03 -0.11928E-02 -0.15675E-03 381 0.621E-02 0.915E-02
DAV: 22 -0.383455337492E+03 -0.62429E-02 -0.16018E-03 300 0.651E-02 0.806E-02
DAV: 23 -0.383458542653E+03 -0.32052E-02 -0.31058E-04 318 0.442E-02 0.400E-02
DAV: 24 -0.383461317311E+03 -0.27747E-02 -0.17618E-04 300 0.314E-02 0.255E-02
DAV: 25 -0.383463796414E+03 -0.24791E-02 -0.10819E-04 318 0.223E-02 0.274E-02
DAV: 26 -0.383465534721E+03 -0.17383E-02 -0.76859E-05 291 0.188E-02 0.109E-02
DAV: 27 -0.383466504700E+03 -0.96998E-03 -0.52843E-05 309 0.147E-02 0.116E-02
DAV: 28 -0.383467004111E+03 -0.49941E-03 -0.30112E-05 255 0.117E-02 0.106E-02
DAV: 29 -0.383467196568E+03 -0.19246E-03 -0.82228E-06 237 0.753E-03 0.459E-03
DAV: 30 -0.383467347294E+03 -0.15073E-03 -0.66563E-06 210 0.496E-03 0.632E-03
DAV: 31 -0.383467397271E+03 -0.49977E-04 -0.29231E-06 228 0.429E-03 0.264E-03
DAV: 32 -0.383467453959E+03 -0.56688E-04 -0.32129E-06 228 0.364E-03 0.233E-03
DAV: 33 -0.383467462216E+03 -0.82563E-05 -0.52605E-07 237 0.182E-03
1 F= -.38346746E+03 E0= -.38348422E+03 d E =0.502837E-01