./iterations/neb0_image04_iter14_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 0.144967644037E+04 0.14497E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225412738857E+03 -0.12243E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362352873190E+03 -0.58777E+03 -0.58444E+03 345 0.114E+02
DAV: 4 -0.433312016025E+03 -0.70959E+02 -0.70698E+02 318 0.509E+01
DAV: 5 -0.434899934577E+03 -0.15879E+01 -0.15855E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389018522916E+03 0.45881E+02 -0.14762E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385568001632E+03 0.34505E+01 -0.13489E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384104961669E+03 0.14630E+01 -0.21566E+00 327 0.385E+00 0.434E+00
DAV: 9 -0.383565285326E+03 0.53968E+00 -0.16008E+00 327 0.242E+00 0.135E+00
DAV: 10 -0.383495375199E+03 0.69910E-01 -0.28533E-01 336 0.116E+00 0.107E+00
DAV: 11 -0.383475253078E+03 0.20122E-01 -0.32191E-01 345 0.673E-01 0.102E+00
DAV: 12 -0.383456992904E+03 0.18260E-01 -0.30044E-01 354 0.768E-01 0.940E-01
DAV: 13 -0.383431851593E+03 0.25141E-01 -0.86533E-02 354 0.562E-01 0.597E-01
DAV: 14 -0.383421952388E+03 0.98992E-02 -0.36252E-02 327 0.367E-01 0.397E-01
DAV: 15 -0.383418920440E+03 0.30319E-02 -0.26422E-02 318 0.433E-01 0.342E-01
DAV: 16 -0.383420585319E+03 -0.16649E-02 -0.66858E-03 318 0.270E-01 0.186E-01
DAV: 17 -0.383426511896E+03 -0.59266E-02 -0.41108E-03 300 0.200E-01 0.146E-01
DAV: 18 -0.383433504200E+03 -0.69923E-02 -0.29869E-03 354 0.182E-01 0.109E-01
DAV: 19 -0.383442591347E+03 -0.90871E-02 -0.38697E-03 336 0.149E-01 0.164E-01
DAV: 20 -0.383441948967E+03 0.64238E-03 -0.31505E-03 345 0.866E-02 0.726E-02
DAV: 21 -0.383449539777E+03 -0.75908E-02 -0.12981E-03 300 0.883E-02 0.803E-02
DAV: 22 -0.383455050733E+03 -0.55110E-02 -0.56002E-04 309 0.595E-02 0.636E-02
DAV: 23 -0.383461599052E+03 -0.65483E-02 -0.11289E-03 309 0.664E-02 0.394E-02
DAV: 24 -0.383463137217E+03 -0.15382E-02 -0.37123E-04 327 0.359E-02 0.357E-02
DAV: 25 -0.383464665933E+03 -0.15287E-02 -0.75667E-05 300 0.194E-02 0.330E-02
DAV: 26 -0.383466731483E+03 -0.20655E-02 -0.14145E-04 309 0.265E-02 0.120E-02
DAV: 27 -0.383467207638E+03 -0.47616E-03 -0.30941E-05 318 0.128E-02 0.110E-02
DAV: 28 -0.383467969688E+03 -0.76205E-03 -0.35403E-05 282 0.114E-02 0.651E-03
DAV: 29 -0.383468266638E+03 -0.29695E-03 -0.79428E-06 237 0.580E-03 0.649E-03
DAV: 30 -0.383468488399E+03 -0.22176E-03 -0.59082E-06 210 0.480E-03 0.425E-03
DAV: 31 -0.383468611877E+03 -0.12348E-03 -0.53132E-06 237 0.470E-03 0.220E-03
DAV: 32 -0.383468650901E+03 -0.39024E-04 -0.13926E-06 237 0.334E-03 0.205E-03
DAV: 33 -0.383468683044E+03 -0.32144E-04 -0.12319E-06 201 0.229E-03 0.187E-03
DAV: 34 -0.383468691273E+03 -0.82288E-05 -0.33078E-07 228 0.152E-03
1 F= -.38346869E+03 E0= -.38348542E+03 d E =0.501967E-01