Coloca essa primeira linha como titulo do e-mail<br><br>Problem with SuperCell<br><br>Hello, I am using Wien2k to try calculate a super cell of 16 atoms. <br>But I have some problems, no error is shown, but the calculation does not run.<br>
<br>see bellow!<br><br>> lapw2 -c -up (09:04:25) > lapw1 -c -dn (09:02:48) 94.3u<br>2.8s 1:37.26 99.9% 0+0k 0+168632io 0pf+0w<br>> lapw1 -c -up (09:01:11) 94.1u 2.6s 1:36.80 99.9% 0+0k 0+170968io<br>
0pf+0w<br>> lapw0 (09:00:30) 39.4u 0.8s 0:40.28 100.0% 0+0k 0+36712io 0pf+0w<br><br> cycle 1 (Thu Oct 13 09:00:30 BRT 2011) (40/99 to go)<br><br> start (Thu Oct 13 09:00:30 BRT 2011) with lapw0 (40/99 to go)<br>
<br><br>using WIEN2k_10.1 (Release 7/6/2010) in /WIENROOT<br>on Fisica-Host-Wien2K with PID 9421<br>Calculating fecocluster in /home/vandao/WIEN2k/vandao/fecocluster<br><br>The calculation is stopped at this stage. what can be happening?<br>
some dependency? my structure? or something else?<br>sorry for my english!<br><br>regards<br><br>Antonio Vanderlei!<br>