Page 1 of 1

Error EDDDAV: Call to ZHEGV failed. Returncode = 25 2 8

Posted: Thu Jun 16, 2011 9:07 am
by rashmi
I have tried to use the below script for simulation of 31 atoms

SYSTEM = Si:
ISTART=0
ISYM=0
ICHARG=2
ISMEAR=0
SIGMA=0.1
LORBIT=11
NSW=200
IBRION=2
ISIF=3
EDIFF=0.0001
EDIFFG=-0.01
ALGO=Normal
IALGO=48
ADDGRID=TRUE

but the simulation after some iteration shows

Error EDDDAV: Call to ZHEGV failed. Returncode = 25 2 8

can anyone help with this problem

Error EDDDAV: Call to ZHEGV failed. Returncode = 25 2 8

Posted: Fri Jun 17, 2011 12:45 pm
by rashmi
please can anyone provide me with any solution as i am still facing this problem.

Error EDDDAV: Call to ZHEGV failed. Returncode = 25 2 8

Posted: Wed Jan 11, 2012 5:01 pm
by Venkatesh Botu
Is this a slab or bulk material? If it is a slab, see if your total length in the C-axis is > 50A, if it is, you might want to reduce your vacuum length