[Wien] Reg: Error while running band structure SP+SO case in parallel

Dear Wien2k, I am getting error while calculating band structure in spin orbit case for a magnetic material. Here are the commands. For scf calculations i gave the following command *runsp_lapw -so -ec 0.01 -p* It completed successfully. After that i created case.klist_band and i gave Ef

[Wien] Wien2k OPTIC crashing for XMCD calculation

Dear Prof. Blaha and Wien2k users, I am using wien2k version WIEN2k_14.1 (Release 8/9/2014) for calculating xmcd spectra of Co L23 edge for 8 atoms system. So I generated case.struct file. The did normal GGA+U spin polarized calculation using runsp_lapw -orb -p. Then I ran few commands as

Re: [Wien] Wien2k OPTIC crashing for XMCD calculation

Did you try without the parallel version of WIEN2k? If the calculation is fast it will be an easy way to figure out if the problem is related to optic program or its parallel version. Indeed, the last step of the parallel version of optic program is to gather all the data and I remember