[Wien] Error in DOS calculation with WIEN2k 17.1
prasad jayasena
prasad.j86 at yahoo.com
Tue Jul 31 19:55:11 CEST 2018
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180731/25b5a0e8/attachment.html>
More information about the Wien
mailing list