Dear wien2k users and developers, I have installed wien2k 11.1 using intel fortran composer? xe update 3. I have succesfully run the scf of?TiC. When I tried to?plot the bandstructure,?an error occured?while calculation x irrep. forrtl: severe (408): fort: (2): Subscript #1 of the array EE has value 20 which is greater than the upper bound of 19 ? Image????????????? PC??????????????? Routine??????????? Line??????? Source???????????? irrep????????????? 000000000053FBFA? Unknown?? ????????????Unknown? Unknown irrep????????????? 000000000053E775? Unknown?????????????? Unknown? Unknown irrep????????????? 00000000004F5DF6? Unknown?????????????? Unknown? Unknown irrep????????????? 00000000004B9D36? Unknown?????????????? Unknown? Unknown irrep????????????? 00000000004BA189? Unknown?????????????? Unknown? Unknown irrep????????????? 00000000004062BA? chrct_???????????????????? 41? chrct.f irrep????????????? 00000000004B61DB? MAIN__??????????????????? 221? irrep.f irrep????????????? 00000000004036AC? Unknown?????????????? Unknown? Unknown libc.so.6????????? 000000322941EC5D? Unknown?????????????? Unknown? Unknown irrep????????????? 00000000004035A9? Unknown?????????????? Unknown? Unknown 0.251u 0.004s 0:00.31 80.6%???? 0+0k 3456+48io 16pf+0w error: command?? /home/james/wien2k/irrep irrep.def?? failed Please help me.
Jameson Maibam Assam University -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120630/5666e8c6/attachment.htm>
