*Hi wien2k Members I am running OPT for ZnTe with experimental lattice constant 6.089 A using WC-GGA scheme. RMT reduced valuse is 5 as well as 10 %. Every time i come across the error named QTL-B Error. Anybody can help me please, why this error appears and how to overcome this? Thank you. Regards*
ERROR status in OPT6.089_vol__-5.0 > stop error FORTRAN STOP L2main - QTL-B Error FORTRAN STOP LAPW1 END FORTRAN STOP LAPW0 END in cycle 5 ETEST: .0052065000000000 CTEST: .0881144 ec cc and fc_conv 1 0 1 FORTRAN STOP MIXER END FORTRAN STOP CORE END FORTRAN STOP LAPW2 END FORTRAN STOP LAPW1 END FORTRAN STOP LAPW0 END -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130104/83adabc9/attachment.htm>