Dear All Users, I amrunning wien2k for the case of a vanadium based compound having 14 atoms in unit cell.The processor is intel Pentium 4 with ram size of 256 MB and the speed is 1.5 GHz. I could do the initialization without any prublem. The SCF cycle is also o.k for LAPW0. But problem starts with LAPW1. It takes abnormally long time ~ 60 mts and LAPW1 is not even completed, I was rather puzzled and aborted the job. Later on I found that the LAPW1 has produced eigenvalues but not the eigenvectors. Could this be due to speed of processor or anything else. I cannot figure out the problem and SCF cycle does not move to the next stage i.e LAPW2. Any suggestion and advice will be well appreciated. Thanks in advance.
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