Re: [Wien] SCF Cycle's problem at WIEN2k 19.1

Hello, The file x_lapw and its link x exist in /home/tokunaga/wien2k/ . Also when I listed the directory of /home/tokunaga/wien2k/ with "ls -l", I was able to confirm the following display: lrwxrwxrwx 1 tokunaga tokunaga 6 Oct 11 14:00 x -> x_lapw -rw-r--r-- 1 tokunaga tokunaga

Re: [Wien] Reg: Error in irrep step in FM case

Is that error with WIEN2k 19.1 or with what version is the error occurring?  There was a degeneracy issue that was fixed that existed in older versions [1]. When getting that error is the structure symmorphic or non-symmporhic [2]? There is likely a "rotkv: cannot find (k+K)inv(Ri)" and "All

[Wien] Reg: Error in irrep step in FM case

Dear Wien2k, Recently i am facing an error while running x irrep -up and x irrep -dn commands. The error is "rotkv: cannot find (k+K)inv(Ri)" The SCF is completed quite well. But facing problem to get the band structure. The upirrep.def file is showing as below 5, 'FM.irrepup',