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

2015-05-15 Thread Peter Blaha
you do not run x lapwso -band -up -p x lapwso -band -dn -p but only ONE lapwso line (without -band) since so couples up and dn spins anyway: x lapwso -up -p Am 14.05.2015 um 15:36 schrieb Peram sreenivasa reddy: Dear Wien2k, I am getting error while calculating band structure in spin orbit

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

2015-05-14 Thread Peram sreenivasa reddy
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