[Wien] SCF calculation with noncentrosymmetric materials

The number (kind) of atoms in the case.rsp is not changed by initso (have a look inside), usually this occurs only for spinpolarized cases because initso may change the structure (dependent on symmetry) Ciao Gerhard Dr. Gerhard H. Fecher Institut of Inorga

[Wien] problem in wien2k 11 installation

while loading shared libraries: libiomp5.so: cannot open shared object file: No such file or directory > stop error ? Please help me. ? Jameson Maibam Assam university? -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120527/168304a6/attachment.htm>