Dear Prof. Blaha, I have installed wien2k11 in my dell core2duo laptop with composer xe 11 update 9 (l_fcompxe_intel64_2011.11.339_1). I can sucessfully run TiC, VC, ScC and similar compounds in fcc structure. But when I tried to calculate ZrO2 in monoclinic structure I got the following error:ZrO2 problem Calculating ZrO2 in /home/james/ZrO2on localhost.localdomain with PID 8700 using WIEN2k_11.1 (Release 14/6/2011) in /home/james/wien2k start (Thu Jun 28 14:24:27 IST 2012) with lapw0 (40/99 to go) cycle 1 (Thu Jun 28 14:24:27 IST 2012) (40/99 to go) > lapw0 (14:24:27) 5.979u 0.380s 0:06.37 99.6% 0+0k 0+6320io 0pf+0w > lapw1 (14:24:34) Abort (core dumped) 2.369u 0.289s 0:03.73 70.7% 0+0k 1688+5168io 9pf+0w error: command /home/james/wien2k/lapw1 lapw1.def failed > stop error In another case I installed wien2k11 in my hp corei3 with composer xe 11.9.2011. In this case even TiC is unable to run. The following message came: LAPW0 ENDforrtl: severe (174): SIGSEGV, segmentation fault occurred> stop error Please help me to get me out of these problems.
Yours sincerely Jameson Maibam -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120628/1e927e9f/attachment.htm>