Calculating CmN in /tmp/48538quanyin on n164 with PID 22305 start Thu Nov 11 11:48:55 2010 with lapw0 (1/100 to go) cycle 0 Thu Nov 11 11:48:55 2010 40/40 to go >lapw0 ( 11:48:55 ) 3.347u 0.149s 0:03.51 99.1% 0+0k 4168+400io 1pf+0w >lapw1 ( 11:48:58 ) 8.876u 0.460s 0:09.36 99.6% 0+0k 3752+31240io 1pf+0w >lapwso ( 11:49:08 ) 1.333u 0.137s 0:01.48 98.6% 0+0k 3200+128256io 1pf+0w >dmft1 ( 11:49:09 ) 0.00user 0.00system 0:05.17elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:50:16 ) 0.00user 0.01system 0:06.33elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:50:22 ) 0.017u 0.022s 0:00.05 60.0% 0+0k 2160+1640io 1pf+0w >mixer ( 11:50:22 ) Note: k-list has changed 0.019u 0.009s 0:00.04 25.0% 0+0k 3064+640io 1pf+0w :ENERGY convergence: 1.0 :CHARGE convergence: 0.1519399 :EF convergence: -0.5569673935 :ITT1 cycle 2 Thu Nov 11 11:50:22 2010 38/38 to go >lapw0 ( 11:50:22 ) 3.141u 0.155s 0:03.30 99.6% 0+0k 0+440io 0pf+0w >lapw1 ( 11:50:25 ) 8.771u 0.478s 0:09.40 98.2% 0+0k 0+31288io 0pf+0w >lapwso ( 11:50:35 ) 1.374u 0.145s 0:01.52 99.3% 0+0k 0+128328io 0pf+0w >dmft1 ( 11:50:36 ) 0.00user 0.00system 0:04.87elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:51:21 ) 0.00user 0.01system 0:05.92elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:51:27 ) 0.026u 0.014s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 11:51:27 ) 0.020u 0.007s 0:00.02 100.0% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.0536209999991 :CHARGE convergence: 0.1361062 :EF convergence: -0.1416386656 :ITT1 cycle 3 Thu Nov 11 11:51:27 2010 37/37 to go >lapw0 ( 11:51:27 ) 3.159u 0.160s 0:03.32 99.6% 0+0k 0+432io 0pf+0w >lapw1 ( 11:51:31 ) 8.866u 0.487s 0:09.37 99.6% 0+0k 0+31320io 0pf+0w >lapwso ( 11:51:40 ) 1.524u 0.147s 0:01.67 99.4% 0+0k 0+128264io 0pf+0w >dmft1 ( 11:51:42 ) 0.00user 0.00system 0:05.12elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:52:23 ) 0.00user 0.00system 0:06.33elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:52:30 ) 0.025u 0.016s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 11:52:30 ) 0.018u 0.011s 0:00.03 66.6% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.131487999999 :CHARGE convergence: 0.0693923 :EF convergence: -0.0474048456 :ITT1 cycle 4 Thu Nov 11 11:52:30 2010 36/36 to go >lapw0 ( 11:52:30 ) 3.369u 0.135s 0:03.50 99.7% 0+0k 0+440io 0pf+0w >lapw1 ( 11:52:33 ) 8.710u 0.438s 0:09.15 99.8% 0+0k 0+31296io 0pf+0w >lapwso ( 11:52:42 ) 1.337u 0.127s 0:01.46 99.3% 0+0k 0+128264io 0pf+0w >dmft1 ( 11:52:44 ) 0.00user 0.00system 0:05.16elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:53:47 ) 0.00user 0.00system 0:05.68elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:53:52 ) 0.020u 0.019s 0:00.42 7.1% 0+0k 0+1640io 0pf+0w >mixer ( 11:53:53 ) 0.027u 0.024s 0:00.05 80.0% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.147795000004 :CHARGE convergence: 0.0898779 :EF convergence: -0.1145056216 :ITT1 cycle 5 Thu Nov 11 11:53:53 2010 35/35 to go >lapw0 ( 11:53:53 ) 3.331u 0.152s 0:03.48 100.0% 0+0k 0+432io 0pf+0w >lapw1 ( 11:53:56 ) 9.297u 0.461s 0:09.87 98.7% 0+0k 0+31280io 0pf+0w >lapwso ( 11:54:06 ) 1.372u 0.154s 0:01.53 99.3% 0+0k 0+128264io 0pf+0w >dmft1 ( 11:54:08 ) 0.00user 0.00system 0:05.12elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:54:46 ) 0.00user 0.01system 0:05.71elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:54:52 ) 0.023u 0.017s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 11:54:52 ) 0.021u 0.008s 0:00.03 66.6% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.0637790000037 :CHARGE convergence: 0.1178415 :EF convergence: -0.0402737701 :ITT1 cycle 6 Thu Nov 11 11:54:52 2010 34/34 to go >lapw0 ( 11:54:52 ) 3.131u 0.165s 0:03.29 100.0% 0+0k 0+440io 0pf+0w >lapw1 ( 11:54:55 ) 8.692u 0.448s 0:09.15 99.7% 0+0k 0+31304io 0pf+0w >lapwso ( 11:55:04 ) 1.525u 0.156s 0:01.68 99.4% 0+0k 0+128264io 0pf+0w >dmft1 ( 11:55:06 ) 0.00user 0.01system 0:04.95elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:55:39 ) 0.00user 0.00system 0:07.03elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:55:46 ) 0.024u 0.017s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 11:55:46 ) 0.019u 0.014s 0:00.03 66.6% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.348574000003 :CHARGE convergence: 0.0616552 :EF convergence: -0.0516586516 :ITT1 cycle 7 Thu Nov 11 11:55:46 2010 33/33 to go >lapw0 ( 11:55:46 ) 3.026u 0.165s 0:03.19 99.6% 0+0k 0+440io 0pf+0w >lapw1 ( 11:55:49 ) 8.662u 0.458s 0:09.13 99.7% 0+0k 0+31280io 0pf+0w >lapwso ( 11:55:58 ) 1.536u 0.166s 0:01.70 99.4% 0+0k 0+128264io 0pf+0w >dmft1 ( 11:56:00 ) 0.00user 0.00system 0:05.36elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:56:58 ) 0.00user 0.00system 0:06.35elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:57:04 ) 0.026u 0.014s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 11:57:04 ) 0.020u 0.009s 0:00.03 66.6% 0+0k 0+640io 0pf+0w :ENERGY convergence: 1.389029 :CHARGE convergence: 2.5007219 :EF convergence: -2.3426220823 :ITT1 cycle 8 Thu Nov 11 11:57:04 2010 32/32 to go >lapw0 ( 11:57:04 ) 3.137u 0.156s 0:03.29 99.6% 0+0k 0+440io 0pf+0w >lapw1 ( 11:57:07 ) 8.557u 0.442s 0:09.02 99.6% 0+0k 0+31288io 0pf+0w >lapwso ( 11:57:16 ) 1.324u 0.148s 0:01.47 99.3% 0+0k 0+128264io 0pf+0w >dmft1 ( 11:57:18 ) 0.00user 0.00system 0:04.92elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:57:46 ) 0.00user 0.00system 0:06.68elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:57:53 ) 0.020u 0.021s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 11:57:53 ) 0.022u 0.008s 0:00.03 66.6% 0+0k 0+640io 0pf+0w :ENERGY convergence: 1.422959 :CHARGE convergence: 0.6240102 :EF convergence: 1.7299197717 :ITT1 cycle 9 Thu Nov 11 11:57:53 2010 31/31 to go >lapw0 ( 11:57:53 ) 3.140u 0.160s 0:03.30 100.0% 0+0k 0+440io 0pf+0w >lapw1 ( 11:57:56 ) 8.689u 0.472s 0:09.16 99.8% 0+0k 0+31280io 0pf+0w >lapwso ( 11:58:05 ) 1.389u 0.143s 0:01.53 99.3% 0+0k 0+128264io 0pf+0w >dmft1 ( 11:58:07 ) 0.00user 0.00system 0:04.92elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:58:41 ) 0.00user 0.00system 0:05.82elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:58:47 ) 0.027u 0.014s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 11:58:47 ) 0.035u 0.021s 0:00.05 100.0% 0+0k 0+648io 0pf+0w :ENERGY convergence: 0.105622000003 :CHARGE convergence: 0.2085943 :EF convergence: 0.3828021885 :ITT1 cycle 10 Thu Nov 11 11:58:47 2010 30/30 to go >lapw0 ( 11:58:47 ) 3.537u 0.165s 0:03.71 99.4% 0+0k 0+432io 0pf+0w >lapw1 ( 11:58:51 ) 8.741u 0.471s 0:09.22 99.8% 0+0k 0+31280io 0pf+0w >lapwso ( 11:59:00 ) 1.333u 0.131s 0:01.46 100.0% 0+0k 0+128264io 0pf+0w >dmft1 ( 11:59:01 ) 0.00user 0.00system 0:05.11elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:59:53 ) 0.00user 0.00system 0:05.73elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:59:59 ) 0.024u 0.016s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 11:59:59 ) 0.021u 0.010s 0:00.03 100.0% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.162936000001 :CHARGE convergence: 0.5255538 :EF convergence: -0.3912989338 :ITT1 cycle 11 Thu Nov 11 11:59:59 2010 29/29 to go >lapw0 ( 11:59:59 ) 3.134u 0.164s 0:03.30 99.6% 0+0k 0+440io 0pf+0w >lapw1 ( 12:00:02 ) 8.824u 0.445s 0:09.28 99.7% 0+0k 0+31288io 0pf+0w >lapwso ( 12:00:11 ) 1.388u 0.139s 0:01.53 98.6% 0+0k 0+128264io 0pf+0w >dmft1 ( 12:00:13 ) 0.00user 0.00system 0:05.21elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 12:00:42 ) 0.00user 0.00system 0:05.64elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 12:00:48 ) 0.020u 0.020s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 12:00:48 ) 0.033u 0.023s 0:00.05 100.0% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.0611550000031 :CHARGE convergence: 0.0952128 :EF convergence: 0.4618036273 :ITT1 cycle 12 Thu Nov 11 12:00:48 2010 28/28 to go >lapw0 ( 12:00:48 ) 3.311u 0.176s 0:03.49 99.7% 0+0k 0+432io 0pf+0w >lapw1 ( 12:00:51 ) 8.877u 0.464s 0:09.35 99.7% 0+0k 0+31288io 0pf+0w >lapwso ( 12:01:01 ) 1.379u 0.144s 0:01.52 99.3% 0+0k 0+128264io 0pf+0w >dmft1 ( 12:01:03 ) 0.00user 0.00system 0:05.12elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 12:01:54 ) 0.00user 0.00system 0:07.04elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 12:02:02 ) 0.022u 0.018s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 12:02:02 ) 0.021u 0.010s 0:00.03 100.0% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.008302000002 :CHARGE convergence: 0.0730295 :EF convergence: 0.037532003 :ITT1 cycle 13 Thu Nov 11 12:02:02 2010 27/27 to go >lapw0 ( 12:02:02 ) 3.155u 0.153s 0:03.31 99.6% 0+0k 0+440io 0pf+0w >lapw1 ( 12:02:05 ) 8.507u 0.479s 0:08.99 99.7% 0+0k 0+31288io 0pf+0w >lapwso ( 12:02:14 ) 1.330u 0.134s 0:01.46 100.0% 0+0k 0+128264io 0pf+0w >dmft1 ( 12:02:16 ) 0.00user 0.00system 0:05.13elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 12:02:47 ) 0.00user 0.00system 0:05.90elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 12:02:52 ) 0.023u 0.017s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 12:02:53 ) 0.021u 0.010s 0:00.03 100.0% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.00432700000238 :CHARGE convergence: 0.0755274 :EF convergence: 0.0049946012 :ITT1 cycle 14 Thu Nov 11 12:02:53 2010 26/26 to go >lapw0 ( 12:02:53 ) 3.138u 0.172s 0:03.31 99.6% 0+0k 0+432io 0pf+0w >lapw1 ( 12:02:56 ) 8.861u 0.479s 0:09.34 99.8% 0+0k 0+31288io 0pf+0w >lapwso ( 12:03:05 ) 1.378u 0.146s 0:01.52 99.3% 0+0k 0+128264io 0pf+0w >dmft1 ( 12:03:07 ) 0.00user 0.00system 0:04.90elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 12:03:33 ) 0.00user 0.00system 0:05.72elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 12:03:39 ) 0.032u 0.009s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 12:03:39 ) 0.022u 0.009s 0:00.03 66.6% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.000272999997833 :CHARGE convergence: 0.0857988 :EF convergence: -0.0095802928 :ITT1 cycle 15 Thu Nov 11 12:03:39 2010 25/25 to go >lapw0 ( 12:03:39 ) 3.163u 0.163s 0:03.34 99.4% 0+0k 0+448io 0pf+0w >lapw1 ( 12:03:42 ) 8.572u 0.451s 0:09.03 99.8% 0+0k 0+31280io 0pf+0w >lapwso ( 12:03:52 ) 1.373u 0.147s 0:01.52 99.3% 0+0k 0+128264io 0pf+0w >dmft1 ( 12:03:53 ) 0.00user 0.00system 0:05.09elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 12:04:19 ) 0.00user 0.01system 0:05.91elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 12:04:25 ) 0.019u 0.021s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 12:04:25 ) 0.020u 0.011s 0:00.03 100.0% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.00335900000209 :CHARGE convergence: 0.0787688 :EF convergence: 0.0086919346 :ITT1 cycle 16 Thu Nov 11 12:04:25 2010 24/24 to go >lapw0 ( 12:04:25 ) 3.394u 0.141s 0:03.53 100.0% 0+0k 0+440io 0pf+0w >lapw1 ( 12:04:28 ) 8.661u 0.480s 0:09.15 99.8% 0+0k 0+31280io 0pf+0w >lapwso ( 12:04:38 ) 1.398u 0.132s 0:01.53 99.3% 0+0k 0+128264io 0pf+0w >dmft1 ( 12:04:39 ) 0.00user 0.00system 0:04.94elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 12:05:05 ) 0.00user 0.00system 0:05.57elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 12:05:10 ) 0.019u 0.021s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 12:05:10 ) 0.023u 0.008s 0:00.03 66.6% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.00299500000256 :CHARGE convergence: 0.0809654 :EF convergence: -0.0063536867 :ITT1 cycle 17 Thu Nov 11 12:05:10 2010 23/23 to go >lapw0 ( 12:05:10 ) 3.160u 0.149s 0:03.31 99.6% 0+0k 0+440io 0pf+0w >lapw1 ( 12:05:14 ) 8.627u 0.466s 0:09.10 99.7% 0+0k 0+31304io 0pf+0w >lapwso ( 12:05:23 ) 1.334u 0.134s 0:01.47 99.3% 0+0k 0+128264io 0pf+0w >dmft1 ( 12:05:25 ) 0.00user 0.00system 0:05.48elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 12:05:50 ) 0.00user 0.01system 0:05.92elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 12:05:56 ) 0.016u 0.024s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 12:05:56 ) 0.024u 0.007s 0:00.03 66.6% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.00102599999809 :CHARGE convergence: 0.0766053 :EF convergence: 0.0056940325 :ITT1 cycle 18 Thu Nov 11 12:05:56 2010 22/22 to go >lapw0 ( 12:05:56 ) 3.138u 0.164s 0:03.30 99.6% 0+0k 0+440io 0pf+0w >lapw1 ( 12:06:00 ) 8.849u 0.458s 0:09.32 99.6% 0+0k 0+31288io 0pf+0w >lapwso ( 12:06:09 ) 1.329u 0.134s 0:01.46 99.3% 0+0k 0+128264io 0pf+0w >dmft1 ( 12:06:11 ) 0.00user 0.00system 0:05.34elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 12:06:35 ) 0.00user 0.01system 0:05.36elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 12:06:40 ) 0.026u 0.014s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 12:06:40 ) 0.020u 0.011s 0:00.03 100.0% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.00300799999968 :CHARGE convergence: 0.0749367 :EF convergence: -0.0002442035 :ITT1 cycle 19 Thu Nov 11 12:06:40 2010 21/21 to go >lapw0 ( 12:06:40 ) 3.150u 0.144s 0:03.29 100.0% 0+0k 0+432io 0pf+0w >lapw1 ( 12:06:44 ) 8.844u 0.451s 0:09.30 99.8% 0+0k 0+31304io 0pf+0w >lapwso ( 12:06:53 ) 1.383u 0.151s 0:01.53 100.0% 0+0k 0+128264io 0pf+0w >dmft1 ( 12:06:55 ) 0.00user 0.00system 0:05.15elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 12:07:20 ) 0.00user 0.01system 0:05.69elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 12:07:26 ) 0.021u 0.020s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 12:07:26 ) 0.024u 0.008s 0:00.03 66.6% 0+0k 0+640io 0pf+0w :ENERGY convergence: 0.00578400000086 :CHARGE convergence: 0.0692821 :EF convergence: 0.0049382022