> I have copied this file and complied it. But still i am getting this error.
Did you copy the new executable ??? File copied. cd $WIENROOT/SRC_symmetry make cp symmetry .. > I checked with diffident version 09.2, 10.1, and 11.1 all of them were > doing same thing. > Please tell me if i have to do something more > Thank you very much > Rostam > > 2011/5/19 Peter Blaha <pblaha at theochem.tuwien.ac.at > <mailto:pblaha at theochem.tuwien.ac.at>> > > Hi, > I could verify your problem. > > Symmetry was not adapted for such a simple monoclinic CXZ case (with > only one atom at the origin). > > Replace rstruc.f in SRC_symmetry by the attached file and recompile. > > Thanks for reporting > > Am 19.05.2011 10:36, schrieb Rostam Golesorkhtabar: > > Dear all WIEN2k user > I have a problem during the initialization of very simple > structure. this is my structure: > > Al > CXZ LATTICE,NONEQUIV.ATOMS: 1 12 C2/m > RELA > 7.636043 6.156375 7.636043 90.000000 90.00000 138.091152 > ATOM 1: X=0.00000000 Y=0.00000000 Z=0.00000000 > MULT= 1 ISPLIT= 8 > Al1 NPT= 781 R0=0.00010000 RMT= 2.5000 Z: 13.0 > LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 > 0.0000000 1.0000000 0.0000000 > 0.0000000 0.0000000 1.0000000 > > > 0 > -- > > P.Blaha > -------------------------------------------------------------------------- > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 > Email: blaha at theochem.tuwien.ac.at > <mailto:blaha at theochem.tuwien.ac.at> WWW: > http://info.tuwien.ac.at/theochem/ > -------------------------------------------------------------------------- > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at <mailto:Wien at > zeus.theochem.tuwien.ac.at> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Peter Blaha Inst.Materials Chemistry TU Vienna Getreidemarkt 9 A-1060 Vienna Austria +43-1-5880115671