Dear Wien team, I have some troubles with my compilation of Wien2k_08. For this reason I started, as a test, the calculation of W with SO using downloaded "Wien2k-executable". The calculation without SO is OK. Then I started initiso and LAPWSO. In the first SCF-cycle LAPW0 and LAPW1 are OK, but LAPWSO starts Infinity cycle, in my opinion. I have input in the case.inso various energy of RLO but every time the computer starts infinity loop. I have been waiting for 30 minutes, but no changes has been obtained.
Computer - CoreDuo, OS - Fedora fc8. Thanks in advance, Oleg Artamonov. --------------------------------------------------- File case.inso WFFIL 4 1 0 llmax,ipr,kpot -10.0000 10.0000 emin,emax (output energy window) 0. 0. 0. direction of magnetization (lattice vectors) 1 number of atoms for which RLO is added 1 -5.50 0.005 atom number,e-lo,de (case.in1), repeat NX times 0 0 0 0 0 number of atoms for which SO is switch off; atoms --------------------------------------------------