iterations/neb0_image02_iter20_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 0.144808537314E+04 0.14481E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224466742124E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362844263014E+03 -0.58731E+03 -0.58416E+03 345 0.114E+02
DAV: 4 -0.433462373167E+03 -0.70618E+02 -0.70380E+02 309 0.508E+01
DAV: 5 -0.435046192323E+03 -0.15838E+01 -0.15812E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389088735254E+03 0.45957E+02 -0.14803E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622080475E+03 0.34667E+01 -0.13606E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384144503729E+03 0.14776E+01 -0.21390E+00 327 0.385E+00 0.433E+00
DAV: 9 -0.383605102270E+03 0.53940E+00 -0.17057E+00 345 0.243E+00 0.137E+00
DAV: 10 -0.383534128115E+03 0.70974E-01 -0.27602E-01 327 0.114E+00 0.104E+00
DAV: 11 -0.383514332838E+03 0.19795E-01 -0.29450E-01 345 0.647E-01 0.980E-01
DAV: 12 -0.383488706946E+03 0.25626E-01 -0.23193E-01 327 0.717E-01 0.927E-01
DAV: 13 -0.383470844543E+03 0.17862E-01 -0.16456E-01 354 0.546E-01 0.640E-01
DAV: 14 -0.383459361418E+03 0.11483E-01 -0.21353E-02 318 0.376E-01 0.312E-01
DAV: 15 -0.383456903330E+03 0.24581E-02 -0.14899E-02 309 0.396E-01 0.188E-01
DAV: 16 -0.383462262224E+03 -0.53589E-02 -0.55987E-03 336 0.231E-01 0.198E-01
DAV: 17 -0.383470486162E+03 -0.82239E-02 -0.26530E-03 300 0.162E-01 0.130E-01
DAV: 18 -0.383479597114E+03 -0.91110E-02 -0.19707E-03 309 0.125E-01 0.762E-02
DAV: 19 -0.383490897936E+03 -0.11301E-01 -0.16080E-03 309 0.131E-01 0.663E-02
DAV: 20 -0.383497468132E+03 -0.65702E-02 -0.95312E-04 318 0.844E-02 0.643E-02
DAV: 21 -0.383501517605E+03 -0.40495E-02 -0.20168E-04 309 0.396E-02 0.425E-02
DAV: 22 -0.383506498885E+03 -0.49813E-02 -0.50654E-04 327 0.552E-02 0.345E-02
DAV: 23 -0.383507297696E+03 -0.79881E-03 -0.40516E-05 327 0.192E-02 0.276E-02
DAV: 24 -0.383508311739E+03 -0.10140E-02 -0.70653E-05 309 0.229E-02 0.120E-02
DAV: 25 -0.383509675503E+03 -0.13638E-02 -0.52785E-05 273 0.143E-02 0.954E-03
DAV: 26 -0.383510266640E+03 -0.59114E-03 -0.20525E-05 264 0.800E-03 0.548E-03
DAV: 27 -0.383510569507E+03 -0.30287E-03 -0.91194E-06 210 0.602E-03 0.204E-03
DAV: 28 -0.383510747049E+03 -0.17754E-03 -0.74088E-06 228 0.531E-03 0.270E-03
DAV: 29 -0.383510799375E+03 -0.52326E-04 -0.20617E-06 228 0.314E-03 0.240E-03
DAV: 30 -0.383510855209E+03 -0.55834E-04 -0.36087E-06 201 0.523E-03 0.135E-03
DAV: 31 -0.383510859446E+03 -0.42373E-05 -0.10527E-06 237 0.250E-03
1 F= -.38351086E+03 E0= -.38352390E+03 d E =0.391200E-01