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internal ERROR RSPHER:running out of buffer

Posted: Wed Mar 18, 2009 1:09 pm
by duygu
Hi,
While optimizing a linear chain structure I constantly get " internal ERROR RSPHER:running out of buffer" message. I've tried the solution given in a previous thread (http://cms.mpi.univie.ac.at/vasp-forum/ ... php?3.2806). I've changed the multiplication factor in the line:
NONLR_S%IRALLOC =IRALLOC*1.4
with 1.5 and even with 1.6 but nothing is changed. (Do I need to recompile VASP by the way?)

My INCAR is as follows:

SYSTEM = FM_40-40 stage1

ISTART = 0
ENCUT = 500
NBANDS = 192
NPAR = 1
ISMEAR = 1
SIGMA = 0.1
LREAL = Auto
GGA = 91
NSW = 150
IBRION = 2
ISPIN = 2
MAGMOM = 83*0 2*6

NWRITE = 2
LPETIM = F
NELM = 150
EDIFF = 1E-05
LPLANE = T
NSIM = 1
ISIF = 2
ISYM = 0
IWAVPR = 1
ALGO = FAST
LDIAG = T
LCORR = T
LWAVE = .FALSE.
LCHARG = .FALSE.
LELF = T
LORBIT=11
NUPDOWN = 9.00

What do you suggest?
Thanks in advance...

Re: internal ERROR RSPHER:running out of buffer

Posted: Wed Sep 04, 2024 2:06 pm
by support_vasp

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