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...
internal ERROR RSPHER:running out of buffer
Moderators: Global Moderator, Moderator
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duygu
internal ERROR RSPHER:running out of buffer
Last edited by duygu on Wed Mar 18, 2009 1:09 pm, edited 1 time in total.
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support_vasp
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- Joined: Mon Nov 18, 2019 11:00 am
Re: internal ERROR RSPHER:running out of buffer
Hi,
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