srDFT_SC/new/O2_avdz/plots/data_DFT_avdzE_tot
Emmanuel Giner 65b006018e converged
2019-11-22 20:00:08 +01:00

11 lines
793 B
Plaintext

1.95 -149.94296401 -150.064080575 -150.064688656 -150.064880415 -150.2459
2.1 -150.00097455 -150.118331316 -150.119414686 -150.119622951 -150.2968
2.2816 -150.02322959 -150.137042336 -150.138545637 -150.138776301 -150.3129
2.4 -150.02114553 -150.133109158 -150.134815036 -150.135061967 -150.3083
2.6 -150.00330654 -150.112744834 -150.114698536 -150.114975828 -150.2873
3.0 -149.95082519 -150.056655343 -150.058870311 -150.059226388 -150.2314
4.0 -149.8639078 -149.964236388 -149.966235528 -149.967037299 -150.1476
5.0 -149.85427735 -149.953808332 -149.95557286 -149.956493015 -150.1274
7.0 -149.85252264 -149.952020485 -149.953722047 -149.954651698 -150.1218
10.0 -149.85251916 -149.952051881 -149.953816525 -149.954736282 -150.1214