Calculating LaNiO3 in /mnt/p02/43256chuckyee on n18 with PID 7952 start Sat May 15 00:38:01 2010 with lapw0 (1/100 to go) cycle 0 Sat May 15 00:38:01 2010 100/0 to go >lapw0 ( 00:38:01 ) 10.816u 0.120s 0:11.05 98.9% 0+0k 0+0io 6pf+0w >lapw1 ( 00:38:12 ) 219.237u 2.144s 3:41.93 99.7% 0+0k 0+0io 12pf+0w >dmft1 ( 00:41:58 ) 0.01user 0.01system 0:25.26elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 01:25:49 ) 0.01user 0.02system 0:58.98elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:26:48 ) 0.048u 0.028s 0:00.15 40.0% 0+0k 0+0io 6pf+0w >mixer ( 01:26:48 ) 0.192u 0.016s 0:00.39 51.2% 0+0k 0+0io 6pf+0w :ENERGY convergence: 1.0 :CHARGE convergence: 0.0027076 :EF convergence: 0.0132048208 :ITT1 cycle 2 Sat May 15 01:26:49 2010 98/98 to go >lapw0 ( 01:26:49 ) 11.108u 0.088s 0:11.29 99.0% 0+0k 0+0io 0pf+0w >lapw1 ( 01:27:00 ) 225.234u 1.988s 3:48.32 99.5% 0+0k 0+0io 0pf+0w >dmft1 ( 01:30:52 ) 0.02user 0.01system 0:23.28elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 02:20:29 ) 0.02user 0.01system 0:56.33elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 02:21:26 ) 0.040u 0.036s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 02:21:26 ) 0.164u 0.060s 0:00.32 68.7% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.0057799999995 :CHARGE convergence: 0.0017493 :EF convergence: -0.0019348781 :ITT1 cycle 3 Sat May 15 02:21:26 2010 97/97 to go >lapw0 ( 02:21:26 ) 11.176u 0.088s 0:11.36 99.0% 0+0k 0+0io 0pf+0w >lapw1 ( 02:21:38 ) 225.382u 1.964s 3:48.25 99.6% 0+0k 0+0io 0pf+0w >dmft1 ( 02:25:30 ) 0.01user 0.01system 0:23.74elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 03:14:47 ) 0.01user 0.02system 0:54.97elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 03:15:42 ) 0.056u 0.016s 0:00.10 60.0% 0+0k 0+0io 0pf+0w >mixer ( 03:15:43 ) 0.184u 0.052s 0:00.33 69.6% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00123400000302 :CHARGE convergence: 0.0010819 :EF convergence: -0.0044112043 :ITT1 cycle 4 Sat May 15 03:15:43 2010 96/96 to go >lapw0 ( 03:15:43 ) 11.216u 0.084s 0:11.40 99.0% 0+0k 0+0io 0pf+0w >lapw1 ( 03:15:55 ) 231.310u 1.788s 3:54.13 99.5% 0+0k 0+0io 0pf+0w >dmft1 ( 03:19:52 ) 0.01user 0.01system 0:22.81elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 04:02:03 ) 0.01user 0.03system 1:06.13elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 04:03:10 ) 0.048u 0.028s 0:00.10 60.0% 0+0k 0+0io 0pf+0w >mixer ( 04:03:10 ) 0.172u 0.084s 0:00.33 75.7% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00798400000349 :CHARGE convergence: 0.0021948 :EF convergence: 0.0066835916 :ITT1 cycle 5 Sat May 15 04:03:10 2010 95/95 to go >lapw0 ( 04:03:10 ) 11.132u 0.108s 0:11.32 99.2% 0+0k 0+0io 0pf+0w >lapw1 ( 04:03:22 ) 231.342u 1.860s 3:53.83 99.7% 0+0k 0+0io 0pf+0w >dmft1 ( 04:07:19 ) 0.01user 0.04system 0:21.47elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 04:48:09 ) 0.03user 0.03system 1:11.37elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 04:49:21 ) 0.056u 0.024s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 04:49:21 ) 0.204u 0.044s 0:00.34 70.5% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.000872999997227 :CHARGE convergence: 0.0009419 :EF convergence: 0.0012744703 :ITT1 cycle 6 Sat May 15 04:49:22 2010 94/94 to go >lapw0 ( 04:49:22 ) 11.108u 0.128s 0:11.34 98.9% 0+0k 0+0io 0pf+0w >lapw1 ( 04:49:33 ) 228.826u 1.820s 3:51.79 99.5% 0+0k 0+0io 0pf+0w >dmft1 ( 04:53:28 ) 0.02user 0.01system 0:24.22elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 05:35:03 ) 0.02user 0.02system 1:00.59elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 05:36:03 ) 0.060u 0.012s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 05:36:04 ) 0.204u 0.048s 0:00.35 68.5% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00181199999497 :CHARGE convergence: 0.0008781 :EF convergence: -0.0110605172 :ITT1 cycle 7 Sat May 15 05:36:04 2010 93/93 to go >lapw0 ( 05:36:04 ) 10.852u 0.112s 0:11.06 99.0% 0+0k 0+0io 0pf+0w >lapw1 ( 05:36:15 ) 224.358u 1.972s 3:47.14 99.6% 0+0k 0+0io 0pf+0w >dmft1 ( 05:40:06 ) 0.01user 0.02system 0:24.67elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 06:19:30 ) 0.01user 0.00system 0:58.11elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 06:20:28 ) 0.064u 0.012s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 06:20:29 ) 0.212u 0.044s 0:00.35 71.4% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.0189020000034 :CHARGE convergence: 0.0021348 :EF convergence: 0.0061121482 :ITT1 cycle 8 Sat May 15 06:20:29 2010 92/92 to go >lapw0 ( 06:20:29 ) 10.856u 0.088s 0:11.02 99.1% 0+0k 0+0io 0pf+0w >lapw1 ( 06:20:40 ) 220.441u 2.008s 3:43.13 99.6% 0+0k 0+0io 0pf+0w >dmft1 ( 06:24:27 ) 0.00user 0.01system 0:23.48elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 06:57:15 ) 0.01user 0.02system 1:01.24elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 06:58:17 ) 0.064u 0.012s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 06:58:17 ) 0.216u 0.044s 0:00.36 69.4% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.0182449999993 :CHARGE convergence: 0.0012538 :EF convergence: 0.000546688 :ITT1 cycle 9 Sat May 15 06:58:17 2010 91/91 to go >lapw0 ( 06:58:17 ) 10.876u 0.104s 0:11.03 99.4% 0+0k 0+0io 0pf+0w >lapw1 ( 06:58:28 ) 220.689u 2.108s 3:43.43 99.7% 0+0k 0+0io 0pf+0w >dmft1 ( 07:02:15 ) 0.01user 0.01system 0:23.95elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 07:35:13 ) 0.02user 0.01system 1:01.98elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 07:36:15 ) 0.052u 0.024s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 07:36:15 ) 0.220u 0.036s 0:00.36 69.4% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00524700000096 :CHARGE convergence: 0.0020749 :EF convergence: 0.0038536301 :ITT1 cycle 10 Sat May 15 07:36:15 2010 90/90 to go >lapw0 ( 07:36:15 ) 10.884u 0.116s 0:11.08 99.1% 0+0k 0+0io 0pf+0w >lapw1 ( 07:36:26 ) 220.317u 2.112s 3:43.47 99.5% 0+0k 0+0io 0pf+0w >dmft1 ( 07:40:13 ) 0.00user 0.00system 0:21.28elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 08:12:45 ) 0.01user 0.04system 0:53.97elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 08:13:39 ) 0.064u 0.012s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 08:13:39 ) 0.236u 0.036s 0:00.36 72.2% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00110799999675 :CHARGE convergence: 0.0029278 :EF convergence: 0.0101595118 :ITT1 cycle 11 Sat May 15 08:13:40 2010 89/89 to go >lapw0 ( 08:13:40 ) 10.820u 0.128s 0:11.03 99.1% 0+0k 0+0io 0pf+0w >lapw1 ( 08:13:51 ) 220.433u 2.148s 3:43.42 99.6% 0+0k 0+0io 0pf+0w >dmft1 ( 08:17:38 ) 0.01user 0.01system 0:20.76elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 08:50:31 ) 0.01user 0.01system 0:59.09elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 08:51:30 ) 0.060u 0.012s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 08:51:30 ) 0.212u 0.060s 0:00.37 72.9% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00161699999444 :CHARGE convergence: 0.0034006 :EF convergence: 0.0061017417 :ITT1 cycle 12 Sat May 15 08:51:31 2010 88/88 to go >lapw0 ( 08:51:31 ) 10.868u 0.116s 0:11.06 99.1% 0+0k 0+0io 0pf+0w >lapw1 ( 08:51:42 ) 220.125u 2.048s 3:43.02 99.6% 0+0k 0+0io 0pf+0w >dmft1 ( 08:55:29 ) 0.00user 0.01system 0:22.96elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 09:28:07 ) 0.01user 0.02system 0:51.24elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 09:28:58 ) 0.056u 0.012s 0:00.10 60.0% 0+0k 0+0io 0pf+0w >mixer ( 09:28:58 ) 0.200u 0.076s 0:00.37 72.9% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00625199999922 :CHARGE convergence: 0.0029792 :EF convergence: -0.0044619376 :ITT1 cycle 13 Sat May 15 09:28:59 2010 87/87 to go >lapw0 ( 09:28:59 ) 10.840u 0.108s 0:11.00 99.4% 0+0k 0+0io 0pf+0w >lapw1 ( 09:29:10 ) 220.577u 1.976s 3:43.39 99.6% 0+0k 0+0io 0pf+0w >dmft1 ( 09:32:57 ) 0.01user 0.02system 0:24.38elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:24:15 ) 0.02user 0.02system 1:16.75elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:25:32 ) 0.060u 0.016s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 11:25:32 ) 0.224u 0.052s 0:00.37 72.9% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00342999999702 :CHARGE convergence: 0.0035991 :EF convergence: 0.00394281 :ITT1 cycle 14 Sat May 15 11:25:32 2010 86/86 to go >lapw0 ( 11:25:32 ) 10.892u 0.092s 0:11.04 99.4% 0+0k 0+0io 0pf+0w >lapw1 ( 11:25:43 ) 220.265u 1.936s 3:43.10 99.5% 0+0k 0+0io 0pf+0w >dmft1 ( 11:29:30 ) 0.01user 0.00system 0:23.86elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:56:25 ) 0.00user 0.03system 1:14.74elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:57:40 ) 0.068u 0.008s 0:00.10 60.0% 0+0k 0+0io 0pf+0w >mixer ( 13:57:40 ) 0.212u 0.056s 0:00.37 70.2% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00824399999692 :CHARGE convergence: 0.0015668 :EF convergence: -0.0081302148 :ITT1 cycle 15 Sat May 15 13:57:41 2010 85/85 to go >lapw0 ( 13:57:41 ) 10.864u 0.140s 0:11.04 99.6% 0+0k 0+0io 0pf+0w >lapw1 ( 13:57:52 ) 220.549u 1.884s 3:43.14 99.6% 0+0k 0+0io 0pf+0w >dmft1 ( 14:01:39 ) 0.00user 0.01system 0:24.24elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 16:28:25 ) 0.01user 0.01system 1:18.25elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 16:29:43 ) 0.072u 0.004s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 16:29:43 ) 0.232u 0.052s 0:00.36 77.7% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00195000000531 :CHARGE convergence: 0.0004919 :EF convergence: -0.0110375085 :ITT1 cycle 16 Sat May 15 16:29:44 2010 3/3 to go >lapw0 ( 16:29:44 ) 10.828u 0.096s 0:10.98 99.3% 0+0k 0+0io 0pf+0w >lapw1 ( 16:29:55 ) 220.201u 1.956s 3:42.87 99.6% 0+0k 0+0io 0pf+0w >dmft1 ( 16:33:41 ) 0.00user 0.00system 0:23.11elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 17:23:41 ) 0.02user 0.01system 1:02.38elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 17:24:43 ) 0.056u 0.020s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 17:24:44 ) 0.196u 0.080s 0:00.39 69.2% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.0133920000007 :CHARGE convergence: 0.0009624 :EF convergence: 0.0024641741 :ITT1 cycle 17 Sat May 15 17:24:44 2010 2/2 to go >lapw0 ( 17:24:44 ) 10.884u 0.100s 0:11.07 99.1% 0+0k 0+0io 0pf+0w >lapw1 ( 17:24:55 ) 220.213u 1.892s 3:42.84 99.6% 0+0k 0+0io 0pf+0w >dmft1 ( 17:28:42 ) 0.00user 0.02system 0:24.13elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 18:14:51 ) 0.01user 0.03system 0:49.29elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 18:15:40 ) 0.060u 0.016s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 18:15:40 ) 0.236u 0.056s 0:00.37 75.6% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.00714000000153 :CHARGE convergence: 0.001528 :EF convergence: -0.005056851 :ITT1 cycle 18 Sat May 15 18:15:41 2010 1/1 to go >lapw0 ( 18:15:41 ) 10.864u 0.088s 0:11.04 99.0% 0+0k 0+0io 0pf+0w >lapw1 ( 18:15:52 ) 220.513u 1.900s 3:43.09 99.6% 0+0k 0+0io 0pf+0w >dmft1 ( 18:19:39 ) 0.00user 0.00system 0:20.97elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 19:02:12 ) 0.00user 0.04system 1:04.71elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 19:03:17 ) 0.068u 0.004s 0:00.12 50.0% 0+0k 0+0io 0pf+0w >mixer ( 19:03:17 ) 0.200u 0.060s 0:00.37 70.2% 0+0k 0+0io 0pf+0w :ENERGY convergence: 9.300000238e-05 :CHARGE convergence: 0.0020854 :EF convergence: 0.0039449831 :ITT1 cycle 19 Sat May 15 19:03:17 2010 0/0 to go >lapw0 ( 19:03:17 ) 10.860u 0.104s 0:11.06 99.0% 0+0k 0+0io 0pf+0w >lapw1 ( 19:03:29 ) 220.681u 1.964s 3:43.57 99.5% 0+0k 0+0io 0pf+0w >dmft1 ( 19:07:16 ) 0.01user 0.02system 0:24.03elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 19:54:10 ) 0.01user 0.01system 0:47.25elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 19:54:57 ) 0.064u 0.012s 0:00.10 70.0% 0+0k 0+0io 0pf+0w >mixer ( 19:54:57 ) 0.200u 0.064s 0:00.38 68.4% 0+0k 0+0io 0pf+0w :ENERGY convergence: 0.014059000001 :CHARGE convergence: 0.0013953 :EF convergence: -0.0024482295 :ITT1 cycle 20 Sat May 15 19:54:58 2010 -1/99 to go >lapw0 ( 19:54:58 ) 10.844u 0.104s 0:11.04 99.0% 0+0k 0+0io 0pf+0w >lapw1 ( 19:55:09 ) 220.165u 1.904s 3:42.60 99.7% 0+0k 0+0io 0pf+0w