<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><pre> I have calculated the GGA+U+SO<br>I have the warning <br> WARNING: The EFG-MATRIX is a NULLMATRIX !
WARNING: The EFG-MATRIX is a NULLMATRIX !<br><br>what is the probleme,please help me<br>thanks<br><br> start (Tue Nov 5 07:35:50 CET 2013) with lapw0 (40/99 to go)
cycle 1 (Tue Nov 5 07:35:50 CET 2013) (40/99 to go)
> lapw0 (07:35:50) WARNING: The EFG-MATRIX is a NULLMATRIX !
WARNING: The EFG-MATRIX is a NULLMATRIX !
9.6u 0.1s 0:10.00 98.5% 0+0k 240+1056io 1pf+0w
> lapw1 -up (07:36:00) 83.6u 6.2s 1:30.44 99.3% 0+0k 8520+90904io 43pf+0w
> lapw1 -dn (07:37:30) 83.4u 6.2s 1:30.11 99.5% 0+0k 0+88232io 0pf+0w
> lapwso -up -orb (07:39:01) 12.5u 1.5s 0:16.35 86.1% 0+0k 61296+689392io 37pf+0w
> lapw2 -c -up -so (07:39:17) 64.8u 1.5s 1:11.47 92.9% 0+0k 185032+1904io 28pf+0w
> lapw2 -c -dn -so (07:40:29) 65.7u 1.6s 1:11.72 93.9% 0+0k 320280+1824io 0pf+0w
> lapwdm -up -so -c (07:41:41) 2.9u 0.2s 0:03.33 95.4% 0+0k 4848+96io 23pf+0w
> lcore -up (07:41:44) 0.0u 0.0s 0:00.07 42.8% 0+0k 2216+264io 11pf+0w
> lcore -dn (07:41:44) 0.0u 0.0s 0:00.04 100.0% 0+0k 0+256io 0pf+0w
> mixer (07:41:45) INFO: LM-LIST in CLMSUM changed in MIXER
INFO: LM-LIST in CLMSUM changed in MIXER
Note: k-list has changed
0.1u 0.0s 0:00.26 69.2% 0+0k 4408+1736io 22pf+0w
:ENERGY convergence: 0 0.0001 0
:CHARGE convergence: 0 0.0000 0
cycle 2 (Tue Nov 5 07:41:45 CET 2013) (39/98 to go)
> lapw0 (07:41:45) 9.4u 0.1s 0:09.71 99.3% 0+0k 240+1248io 1pf+0w
> orb -up (07:41:55) 0.0u 0.0s 0:00.05 20.0% 0+0k 2320+32io 13pf+0w
> orb -dn (07:41:55) 0.0u 0.0s 0:00.01 100.0% 0+0k 0+32io 0pf+0w
> lapw1 -up (07:41:55) 85.8u 6.6s 1:32.70 99.6% 0+0k 400+90704io 2pf+0w
> lapw1 -dn (07:43:28) 84.7u 6.5s 1:35.61 95.4% 0+0k 8+87864io 0pf+0w
> lapwso -up -orb (07:45:03) 12.1u 1.8s 0:15.25 91.7% 0+0k 5592+677904io 29pf+0w
> lapw2 -c -up -so (07:45:19) 70.9u 1.3s 1:13.02 98.9% 0+0k 376+1848io 2pf+0w
> lapw2 -c -dn -so (07:46:32) 71.2u 1.2s 1:13.28 98.9% 0+0k 8+1832io 0pf+0w
> lapwdm -up -so -c (07:47:45) 2.9u 0.2s 0:03.38 95.8% 0+0k 4056+96io 23pf+0w
> lcore -up (07:47:49) 0.0u 0.0s 0:00.09 22.2% 0+0k 224+256io 1pf+0w
> lcore -dn (07:47:49) 0.0u 0.0s 0:00.08 37.5% 0+0k 16+256io 0pf+0w
> mixer (07:47:49) 0.0u 0.0s 0:00.20 55.0% 0+0k 4008+2424io 22pf+0w
:ENERGY convergence: 0 0.0001 0
:CHARGE convergence: 0 0.0000 0
cycle 3 (Tue Nov 5 07:47:49 CET 2013) (38/97 to go)
> lapw0 (07:47:49) 9.9u 0.2s 0:10.53 96.7% 0+0k 248+1248io 1pf+0w
> orb -up (07:48:00) 0.0u 0.0s 0:00.06 16.6% 0+0k 216+40io 1pf+0w
> orb -dn (07:48:00) 0.0u 0.0s 0:00.01 100.0% 0+0k 8+32io 0pf+0w
> lapw1 -up (07:48:00) 89.6u 7.2s 1:45.24 92.0% 0+0k 376+90976io 2pf+0w
> lapw1 -dn (07:49:46) 92.1u 7.3s 1:43.03 96.6% 0+0k 848+88096io 2pf+0w
> lapwso -up -orb (07:51:29) 12.6u 2.2s 0:19.24 77.3% 0+0k 161456+679320io 4pf+0w
> lapw2 -c -up -so (07:51:49) 71.9u 1.4s 1:21.90 89.6% 0+0k 194048+1880io 9pf+0w
> lapw2 -c -dn -so (07:53:11) 71.5u 1.6s 1:23.13 88.0% 0+0k 324552+1864io 1pf+0w
> lapwdm -up -so -c (07:54:35) 2.9u 0.3s 0:04.72 70.3% 0+0k 195760+96io 5pf+0w
> lcore -up (07:54:40) 0.0u 0.0s 0:00.17 11.7% 0+0k 752+256io 1pf+0w
> lcore -dn (07:54:40) 0.0u 0.0s 0:00.11 18.1% 0+0k 528+256io 0pf+0w
> mixer (07:54:40) 0.0u 0.0s 0:00.44 27.2% 0+0k 6816+2424io 27pf+0w
:ENERGY convergence: 0 0.0001 1.1464365850000000
:CHARGE convergence: 0 0.0000 .9504684
cycle 4 (Tue Nov 5 07:54:41 CET 2013) (37/96 to go)
> lapw0 (07:54:41) 10.0u 0.1s 0:11.70 87.6% 0+0k 3224+1248io 18pf+0w
> orb -up (07:54:53) 0.0u 0.0s 0:00.06 16.6% 0+0k 264+32io 1pf+0w
> orb -dn (07:54:53) 0.0u 0.0s 0:00.05 20.0% 0+0k 48+32io 0pf+0w
> lapw1 -up (07:54:53) 90.3u 7.1s 1:50.60 88.1% 0+0k 456+90960io 2pf+0w
> lapw1 -dn (07:56:44) 89.4u 7.2s 2:03.97 78.0% 0+0k 24+88968io 0pf+0w
> lapwso -up -orb (07:58:48) 12.4u 2.0s 0:25.15 57.6% 0+0k 155704+681192io 1pf+0w
> lapw2 -c -up -so (07:59:14) 76.3u 2.0s 1:42.99 76.1% 0+0k 657536+1888io 1pf+0w
> lapw2 -c -dn -so (08:00:58) 73.6u 2.2s 2:48.06 45.1% 0+0k 937432+1856io 6pf+0w
> lapwdm -up -so -c (08:03:46) 3.0u 0.3s 0:09.98 34.2% 0+0k 376176+112io 23pf+0w
> lcore -up (08:03:57) 0.0u 0.0s 0:00.15 20.0% 0+0k 2888+256io 11pf+0w
> lcore -dn (08:03:57) 0.0u 0.0s 0:00.10 20.0% 0+0k 528+256io 0pf+0w
> mixer (08:03:58) 0.0u 0.0s 0:00.59 23.7% 0+0k 8232+2424io 32pf+0w
:ENERGY convergence: 0 0.0001 1.3329792650000000
:CHARGE convergence: 0 0.0000 .8101122</pre></div></body></html>