[Wien] case.vectorso (up/dn)
Konstantin Nefedev
nefedev at gate.sinica.edu.tw
Wed Jun 20 18:53:42 CEST 2007
Dear Stefaan,
I did not use clean_lapw...
all error files are empty:
Tue Jun 19 01:00:22 2007
dndstart.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/dndstart.error>
0
Wed Jun 20 10:38:38 2007
dnlapw1.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/dnlapw1.error>
0
Wed Jun 20 10:42:13 2007
dnlapw2.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/dnlapw2.error>
0
Wed Jun 20 10:42:15 2007
dnlcore.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/dnlcore.error>
0
Tue Jun 19 00:49:02 2007
dstart.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/dstart.error>
0
Wed Jun 20 10:10:32 2007
lapw0.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/lapw0.error>
0
Wed Jun 20 10:39:33 2007
lapwso.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/lapwso.error>
0
Wed Jun 20 10:42:35 2007
mixer.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/mixer.error>
0
Tue Jun 19 01:00:39 2007
updstart.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/updstart.error>
0
Wed Jun 20 10:24:35 2007
uplapw1.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/uplapw1.error>
0
Wed Jun 20 10:40:55 2007
uplapw2.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/uplapw2.error>
0
Wed Jun 20 10:42:13 2007
uplcore.error<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/uplcore.error>
0
below is information (the last lines) form dayfile
cycle 37 (Wed Jun 20 09:37:22 CST 2007) (4/4 to go)
> lapw0 (09:37:22) 30.553u 0.576s 0:31.69 98.2% 0+0k 0+0io 0pf+0w
> lapw1 -c -up (09:37:54) 841.164u 1.812s 14:03.35 99.9% 0+0k 0+0io
0pf+0w
> lapw1 -c -dn (09:51:58) 839.868u 1.796s 14:02.92 99.8% 0+0k 0+0io
0pf+0w
> lapwso -up -c (10:06:01) 47.294u 0.596s 0:55.92 85.6% 0+0k 0+0io 0pf+0w
> lapw2 -c -up -so (10:06:57) 66.372u 2.596s 1:16.85 89.7% 0+0k 0+0io
0pf+0w
> lapw2 -c -dn -so (10:08:14) 66.456u 2.464s 1:18.85 87.3% 0+0k 0+0io
0pf+0w
> lcore -up (10:09:33) 0.360u 0.052s 0:02.45 16.7% 0+0k 0+0io 0pf+0w
> lcore -dn (10:09:36) 0.396u 0.072s 0:01.18 38.9% 0+0k 0+0io 0pf+0w
> mixer (10:09:42) 4.108u 1.684s 0:12.32 46.9% 0+0k 0+0io 0pf+0w
:ENERGY convergence: 1 0.0001 .0000170000000000
:CHARGE convergence: 0 0.001 .0000147
cycle 38 (Wed Jun 20 10:09:55 CST 2007) (3/3 to go)
> lapw0 (10:09:55) 30.705u 0.576s 0:35.97 86.9% 0+0k 0+0io 0pf+0w
> lapw1 -c -up (10:10:31) 841.024u 1.796s 14:03.19 99.9% 0+0k 0+0io
0pf+0w
> lapw1 -c -dn (10:24:34) 839.592u 1.832s 14:02.24 99.9% 0+0k 0+0io
0pf+0w
> lapwso -up -c (10:38:37) 47.218u 0.748s 1:03.61 75.3% 0+0k 0+0io 0pf+0w
> lapw2 -c -up -so (10:39:41) 66.932u 2.256s 1:13.40 94.2% 0+0k 0+0io
0pf+0w
> lapw2 -c -dn -so (10:40:54) 66.932u 2.452s 1:17.27 89.7% 0+0k 0+0io
0pf+0w
> lcore -up (10:42:11) 0.316u 0.032s 0:00.44 77.2% 0+0k 0+0io 0pf+0w
> lcore -dn (10:42:12) 0.372u 0.052s 0:00.82 51.2% 0+0k 0+0io 0pf+0w
> mixer (10:42:16) 4.144u 1.812s 0:23.06 25.8% 0+0k 0+0io 0pf+0w
:ENERGY convergence: 1 0.0001 .0000125000000000
:CHARGE convergence: 1 0.001 -.0000765
> stop
this is information from STDOUT
in cycle 38 ETEST: .0000170000000000 CTEST: .0000147
LAPW0 END
LAPW1 END
LAPW1 END
LAPWSO END
LAPW2 END
LAPW2 END
CORE END
CORE END
MIXER END
these files were created only:
Tue Jun 19 13:54:19 2007
La75Sr25MnO3_k20_sp_c_orb.vcoul<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vcoul>
0
Tue Jun 19 13:54:52 2007
La75Sr25MnO3_k20_sp_c_orb.vec<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vec>
0
Tue Jun 19 14:22:59 2007
La75Sr25MnO3_k20_sp_c_orb.vect1<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vect1>
0
Wed Jun 20 10:10:32 2007
La75Sr25MnO3_k20_sp_c_orb.vnsdn<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vnsdn>
17757765
Tue Jun 19 13:52:35 2007
La75Sr25MnO3_k20_sp_c_orb.vnsdn_so<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vnsdn_so>
0
Wed Jun 20 10:42:18 2007
La75Sr25MnO3_k20_sp_c_orb.vnsdn_old<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vnsdn_old>
17757765
Wed Jun 20 10:42:17 2007
La75Sr25MnO3_k20_sp_c_orb.vnsup_old<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vnsup_old>
17757765
Tue Jun 19 13:52:35 2007
La75Sr25MnO3_k20_sp_c_orb.vnsup_so<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vnsup_so>
0
Tue Jun 19 13:52:35 2007
La75Sr25MnO3_k20_sp_c_orb.vorbdn<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vorbdn>
0
Tue Jun 19 13:52:35 2007
La75Sr25MnO3_k20_sp_c_orb.vorbdn_so<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vorbdn_so>
0
Tue Jun 19 13:52:35 2007
La75Sr25MnO3_k20_sp_c_orb.vorbup<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vorbup>
0
Tue Jun 19 13:52:35 2007
La75Sr25MnO3_k20_sp_c_orb.vorbup_so<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vorbup_so>
0
Wed Jun 20 10:42:15 2007
La75Sr25MnO3_k20_sp_c_orb.vrespcordn<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vrespcordn>
314963
Wed Jun 20 10:42:13 2007
La75Sr25MnO3_k20_sp_c_orb.vrespcorup<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vrespcorup>
314963
Tue Jun 19 13:54:19 2007
La75Sr25MnO3_k20_sp_c_orb.vrespdn<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vrespdn>
0
Tue Jun 19 13:54:19 2007
La75Sr25MnO3_k20_sp_c_orb.vrespsum<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vrespsum>
0
Tue Jun 19 13:54:19 2007
La75Sr25MnO3_k20_sp_c_orb.vrespup<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vrespup>
0
Wed Jun 20 10:42:13 2007
La75Sr25MnO3_k20_sp_c_orb.vrespvaldn<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vrespvaldn>
18070847
Wed Jun 20 10:40:55 2007
La75Sr25MnO3_k20_sp_c_orb.vrespvalup<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vrespvalup>
18070847
Tue Jun 19 00:39:14 2007
La75Sr25MnO3_k20_sp_c_orb.vsp_st<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vsp_st>
314511
Wed Jun 20 10:10:31 2007
La75Sr25MnO3_k20_sp_c_orb.vspdn<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vspdn>
314001
Wed Jun 20 10:42:17 2007
La75Sr25MnO3_k20_sp_c_orb.vspdn_old<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vspdn_old>
314001
Tue Jun 19 13:52:35 2007
La75Sr25MnO3_k20_sp_c_orb.vspdn_so<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vspdn_so>
0
Tue Jun 19 00:39:14 2007
La75Sr25MnO3_k20_sp_c_orb.vspdn_st<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vspdn_st>
314511
Wed Jun 20 10:10:28 2007
La75Sr25MnO3_k20_sp_c_orb.vspup<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vspup>
314001
Wed Jun 20 10:42:17 2007
La75Sr25MnO3_k20_sp_c_orb.vspup_old<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vspup_old>
314001
Tue Jun 19 13:52:35 2007
La75Sr25MnO3_k20_sp_c_orb.vspup_so<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vspup_so>
0
Tue Jun 19 13:54:19 2007
La75Sr25MnO3_k20_sp_c_orb.vtotal<http://warp.rcas.sinica.edu.tw:7893/util/edit.pl?SID=658437&f=1&file=/autofs/work1/knefedev/WIEN2k/La75Sr25MnO3_k20_sp_c_orb/La75Sr25MnO3_k20_sp_c_orb.vtotal>
0
What is the reason of the absence?
Konstantin
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