Calculating NiO in /mnt/wk05/haule/materials/newDMFT/NiO/output on rupc06 with PID 22059 start Thu Sep 30 00:42:54 2010 with lapw0 (1/100 to go) cycle 0 Thu Sep 30 00:42:54 2010 30/30 to go >lapw0 ( 00:42:54 ) 3.400u 0.176s 0:03.96 90.1% 0+0k 0+456io 0pf+0w >lapw1 ( 00:42:58 ) 1.660u 0.096s 0:02.05 85.3% 0+0k 0+3440io 0pf+0w >dmft1 ( 00:43:01 ) 26.53user 0.03system 0:26.91elapsed 98%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:44:25 ) 4.16user 0.04system 0:04.50elapsed 93%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:44:29 ) 0.016u 0.008s 0:00.31 3.2% 0+0k 0+696io 0pf+0w >mixer ( 00:44:30 ) 0.024u 0.020s 0:00.42 9.5% 0+0k 0+656io 0pf+0w :ENERGY convergence: 1.0 :CHARGE convergence: 0.0257489 :EF convergence: 0 :ITT1 cycle 2 Thu Sep 30 00:44:30 2010 28/28 to go >lapw0 ( 00:44:30 ) 3.444u 0.172s 0:03.79 95.2% 0+0k 0+456io 0pf+0w >lapw1 ( 00:44:34 ) 1.684u 0.076s 0:02.00 87.5% 0+0k 0+3440io 0pf+0w >dmft1 ( 00:44:37 ) 26.36user 0.14system 0:26.75elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:45:35 ) 4.20user 0.04system 0:04.39elapsed 96%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:45:39 ) 0.020u 0.000s 0:00.07 28.5% 0+0k 0+696io 0pf+0w >mixer ( 00:45:39 ) 0.016u 0.020s 0:00.09 33.3% 0+0k 0+656io 0pf+0w :ENERGY convergence: 0.010632 :CHARGE convergence: 0.010742 :EF convergence: 0 :ITT1 cycle 3 Thu Sep 30 00:45:40 2010 27/27 to go >lapw0 ( 00:45:40 ) 3.452u 0.164s 0:03.65 98.9% 0+0k 0+456io 0pf+0w >lapw1 ( 00:45:43 ) 1.664u 0.076s 0:01.83 94.5% 0+0k 0+3440io 0pf+0w >dmft1 ( 00:45:46 ) 26.60user 0.02system 0:26.71elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:46:32 ) 4.18user 0.04system 0:04.30elapsed 98%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:46:37 ) 0.020u 0.000s 0:00.08 25.0% 0+0k 0+696io 0pf+0w >mixer ( 00:46:37 ) 0.016u 0.016s 0:00.10 20.0% 0+0k 0+656io 0pf+0w :ENERGY convergence: 0.000509999999849 :CHARGE convergence: 0.0089021 :EF convergence: 0 :ITT1 cycle 4 Thu Sep 30 00:46:37 2010 26/26 to go >lapw0 ( 00:46:37 ) 3.372u 0.204s 0:03.65 97.8% 0+0k 0+456io 0pf+0w >lapw1 ( 00:46:41 ) 1.680u 0.068s 0:01.84 94.5% 0+0k 0+3440io 0pf+0w >dmft1 ( 00:46:43 ) 26.52user 0.09system 0:26.70elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:47:24 ) 4.20user 0.05system 0:04.62elapsed 92%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:47:29 ) 0.020u 0.004s 0:00.17 11.7% 0+0k 0+696io 0pf+0w >mixer ( 00:47:29 ) 0.020u 0.016s 0:00.51 5.8% 0+0k 0+656io 0pf+0w :ENERGY convergence: 0.00511999999981 :CHARGE convergence: 0.0144205 :EF convergence: 0 :ITT1 cycle 5 Thu Sep 30 00:47:30 2010 25/25 to go >lapw0 ( 00:47:30 ) 3.416u 0.180s 0:03.73 96.2% 0+0k 0+456io 0pf+0w >lapw1 ( 00:47:34 ) 1.684u 0.084s 0:02.24 78.5% 0+0k 0+3440io 0pf+0w >dmft1 ( 00:47:37 ) 26.88user 0.18system 0:27.43elapsed 98%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:48:17 ) 4.19user 0.05system 0:04.32elapsed 98%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:48:21 ) 0.016u 0.000s 0:00.08 12.5% 0+0k 0+696io 0pf+0w >mixer ( 00:48:22 ) 0.024u 0.024s 0:00.27 14.8% 0+0k 0+656io 0pf+0w :ENERGY convergence: 0.00387099999989 :CHARGE convergence: 0.0090856 :EF convergence: 0 :ITT1 cycle 6 Thu Sep 30 00:48:22 2010 24/24 to go >lapw0 ( 00:48:22 ) 3.456u 0.144s 0:03.66 98.0% 0+0k 0+456io 0pf+0w >lapw1 ( 00:48:26 ) 1.696u 0.072s 0:01.86 94.6% 0+0k 0+3440io 0pf+0w >dmft1 ( 00:48:28 ) 26.39user 0.08system 0:26.69elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:49:06 ) 4.16user 0.06system 0:04.46elapsed 94%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:49:11 ) 0.004u 0.012s 0:00.19 5.2% 0+0k 0+696io 0pf+0w >mixer ( 00:49:11 ) 0.020u 0.016s 0:00.24 12.5% 0+0k 0+656io 0pf+0w :ENERGY convergence: 0.000118999999813 :CHARGE convergence: 0.0115705 :EF convergence: 0 :ITT1 cycle 7 Thu Sep 30 00:49:12 2010 23/23 to go >lapw0 ( 00:49:12 ) 3.344u 0.216s 0:03.68 96.4% 0+0k 0+456io 0pf+0w >lapw1 ( 00:49:15 ) 1.680u 0.060s 0:01.91 91.0% 0+0k 0+3440io 0pf+0w >dmft1 ( 00:49:18 ) 26.83user 0.06system 0:27.23elapsed 98%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:49:57 ) 4.18user 0.06system 0:04.43elapsed 95%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:50:02 ) 0.016u 0.004s 0:00.23 4.3% 0+0k 0+696io 0pf+0w >mixer ( 00:50:02 ) 0.020u 0.016s 0:00.26 11.5% 0+0k 0+656io 0pf+0w :ENERGY convergence: 0.000512000000072 :CHARGE convergence: 0.0106401 :EF convergence: 0 :ITT1 cycle 8 Thu Sep 30 00:50:03 2010 22/22 to go >lapw0 ( 00:50:03 ) 3.368u 0.204s 0:03.71 95.9% 0+0k 0+456io 0pf+0w >lapw1 ( 00:50:07 ) 1.680u 0.068s 0:02.05 84.8% 0+0k 0+3440io 0pf+0w >dmft1 ( 00:50:09 ) 26.40user 0.05system 0:27.21elapsed 97%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:50:52 ) 4.20user 0.07system 0:04.47elapsed 95%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:50:56 ) 0.016u 0.016s 0:00.10 20.0% 0+0k 0+696io 0pf+0w >mixer ( 00:50:57 ) 0.036u 0.016s 0:00.11 36.3% 0+0k 0+656io 0pf+0w :ENERGY convergence: 0.000426999999945 :CHARGE convergence: 0.0065273 :EF convergence: 0 :ITT1 cycle 9 Thu Sep 30 00:50:57 2010 21/21 to go >lapw0 ( 00:50:57 ) 3.472u 0.148s 0:03.66 98.6% 0+0k 0+456io 0pf+0w >lapw1 ( 00:51:01 ) 1.708u 0.064s 0:01.85 95.1% 0+0k 0+3440io 0pf+0w >dmft1 ( 00:51:03 ) 26.46user 0.12system 0:26.69elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:51:40 ) 4.18user 0.08system 0:04.66elapsed 91%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:51:45 ) 0.016u 0.008s 0:00.47 2.1% 0+0k 0+696io 0pf+0w >mixer ( 00:51:46 ) 0.016u 0.028s 0:00.78 3.8% 0+0k 0+656io 0pf+0w :ENERGY convergence: 0.000358999999662 :CHARGE convergence: 0.0093823 :EF convergence: 0 :ITT1 cycle 10 Thu Sep 30 00:51:47 2010 20/20 to go >lapw0 ( 00:51:47 ) 3.424u 0.200s 0:04.10 88.2% 0+0k 0+456io 0pf+0w >lapw1 ( 00:51:51 ) 1.680u 0.084s 0:02.43 72.4% 0+0k 0+3440io 0pf+0w >dmft1 ( 00:51:55 ) 26.86user 0.08system 0:28.27elapsed 95%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:52:34 ) 4.20user 0.06system 0:04.57elapsed 93%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:52:38 ) 0.024u 0.008s 0:00.15 13.3% 0+0k 0+696io 0pf+0w >mixer ( 00:52:39 ) 0.020u 0.016s 0:00.25 12.0% 0+0k 0+656io 0pf+0w :ENERGY convergence: 0.000250000000051 :CHARGE convergence: 0.0119877 :EF convergence: 0 :ITT1 cycle 11 Thu Sep 30 00:52:39 2010 -1/99 to go >lapw0 ( 00:52:39 ) 3.364u 0.184s 0:03.73 94.9% 0+0k 0+456io 0pf+0w >lapw1 ( 00:52:43 ) 1.684u 0.080s 0:01.93 91.1% 0+0k 0+3440io 0pf+0w