WARNING: CNORMN: search vector ill defined - for larger system

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GRYTSYSY
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WARNING: CNORMN: search vector ill defined - for larger system

#1 Post by GRYTSYSY » Sun Jun 05, 2011 6:15 pm

Dear all,
I did calculation for system CoO/Ni that has 541 atoms and I got good convergence. But, when I only increased number of atoms, making more layers of bulk CoO in structure, I got the next message after 21 ionic iterations:

1.RMM: 43 -0.564474633929E+05 0.18225E+03 -0.99538E+00 25282 0.110E+00 0.122E+03
RMM: 44 -0.560694026789E+05 0.37806E+03 -0.63567E+00 25428 0.118E+00 0.121E+03
RMM: 45 -0.560080901096E+05 0.61313E+02 -0.26264E+00 25543 0.844E-01 0.121E+03
RMM: 46 -0.559562171658E+05 0.51873E+02 -0.18669E+01 20448 0.230E+00 0.121E+03

WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
.................................................................................

Than, after 21 iterations, after that massage, I increased number of nodes from 128 to 256 and I didn't get that massage, but I didn't get convergence too even after 50 iterations.
Why I didn't get that problem for system with 541 atoms, only for larger one? Why result depends on number of nodes that I use?

I used gamma version of VASP.
Here is the next my input information:
INCAR:

# SCF input for VASP

# Note that VASP uses the FIRST occurence of a keyword

SYSTEM = Co300 Ni216 O325 (P3) ~ CoONi (VASP)

PREC = Normal

ENCUT = 400.000

IBRION = 2

NSW = 100

NELMIN = 2

EDIFF = 1.0e-03

EDIFFG = -0.25

VOSKOWN = 1

NBLOCK = 1

NELM = 60

# ALGO = Normal (blocked Davidson)

ISPIN = 2

INIWAV = 1

ISTART = 0

ICHARG = 2

MAGMOM = 25*3 25*-3 25*3 25*-3 25*3 25*-3 25*3 25*-3 25*3 25*-3 25*3 25*-3 216*2 325*0

LWAVE = .TRUE.

LCHARG = .TRUE.

ADDGRID = .FALSE.

ISMEAR = 1

SIGMA = 0.2

LREAL = Auto

NPAR = 16

ALGO = Fast

LPANE = F

KPOINT
Automatic mesh

0

Gamma

1 1 1

0. 0. 0.

If you need any additional information, please let me know.
best wishes,
Sergiy
Last edited by GRYTSYSY on Sun Jun 05, 2011 6:15 pm, edited 1 time in total.

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Re: WARNING: CNORMN: search vector ill defined - for larger system

#2 Post by support_vasp » Tue Sep 10, 2024 2:12 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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