Dear developers and users I am using wien2k 17.1 version. I recently completed scf calculation without any error (runsp_lapw -p -i 140 -ec 0.00001 -cc 0.0001 -NI).
Now I tried calculation of DOS. But when I try x lapw2 -p -up -qtl I am getting the following error. running in single mode forrtl: severe (24): end-of-file during read, unit 10, file /home/scratch/UB-8.5-5000-SCF.vectorup However, in the working directory, there are two none-empty case. vectorup and case.vectordn files. I cannot solve this error. The other thing is, if I did parallel mode scf calculation I believe it needs to create several vectorup/dn_x files. But here it is a single file. Can someone please let me know what is wrong here. 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