Dear all, When i follow the latest guide to make a supercell for MgO, an error came out. i mark the first Mg as Mg1.And then i face an error when i do x nn.
Fortran runtime error: Bad value during integer read Error termination. Backtrace: #0 0xb3c5d623960 in ??? #1 0xb3c5d6244d9 in ??? #2 0xb3c5d62510f in ??? #3 0xb3c5d8753a7 in ??? #4 0xb3c5d879ae5 in ??? #5 0xb3c5d87ae55 in ??? #6 0x583a57ce8bad in ??? #7 0x583a57ce726e in ??? #8 0xb3c5d229d8f in __libc_start_call_main at ../sysdeps/nptl/libc_start_call_main.h:58 #9 0xb3c5d229e3f in __libc_start_main_impl at ../csu/libc-start.c:392 #10 0x583a57ce7294 in ??? #11 0xffffffffffffffff in ??? Also, i cant use xcrysden to view the struct and setrmt for it. How can i fix it? Looking forward to your reply. With regards! _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html