[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
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