Dear wien2k community
I am using WIEN2k Version 18.2 and am trying to do a bandstructure calculation of a fcc structure with spin-polarized, FM and SOC added. I first finished SCF and saved the calculation. Then finished the scf with SOC added and saved it. After I tried doing bandstructure. Here is my procedure; 1. created klist_band 2. x lapw1 -band -up -p x lapw1 -band -dn -p x lapwso -up -p x lapw2 -band -qtl -up -p All these runs finished correct. 3. I added the E_fermi in case.insp 4. xspaghetti -so -up -p But at this step I get errors and all the files spaghettiup_ps, spaghettiup_ene, outputspup, irrepsoup, bandsup.agr are empty. In upspaghetti.def I get the following. 5, 'case.insp', 'old', 'formatted',0 6, 'case.outputspup', 'unknown','formatted',0 9, 'case.qtlup', 'unknown','formatted',0 10,'case.spaghettiup_ene','unknown','formatted',0 11,'case.spaghettiup_ps', 'unknown','formatted',0 20,'case.struct', 'old', 'formatted',0 30,'case.irrepsoup', 'unknown','formatted',0 40,'case.bandsup.agr', 'unknown','formatted',0 7, 'case.outputso', 'old','formatted',0 In the slurm job file I see the following message . case.outputso created from 0 parallel files ERROR IN OPENING UNIT: 7 FILENAME: case.outputso STATUS: old FORM:formatted OPEN FAILED 0.001u 0.009s 0:00.10 0.0% 0+0k 8784+0io 28pf+0w Can someone identify the problem with this ? I appreciate your suggestion very much. Thank you Prasad _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html