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RSPHER: internal ERROR:

Posted: Wed Aug 14, 2013 6:28 am
by akuritu
Dear admin,
I am doing a molecular dynamics calculation for silver atom deposited over graphite, with vasp.5.2.11. Here is my INCAR....

SYSTEM = GRAPHITE_step

ISTART = 0
INIWAV = 1

ELECTRONIC RELAXATION
IALGO = 38
LDIAG = T
ENCUT = 400
NELMIN = 4
NELM = 140
EDIFF = 1E-04
ISPIN = 1
INIMIX = 2
AMIX = 0.8
BMIX = 0.001
MAXMIX = 40
LORBIT = 11
LREAL = AUTO
IWAVPRE = 11

IONIC RELAXATION
NSW = 5000
NBLOCK = 5
IBRION = 0
EDIFFG = -0.01

DOS RELATED VALUES
ISMEAR = 0
SIGMA = 0.1
NPAR = 8
NSIM = 1
LPLANE = TRUE

MD related Tags canonic (Nose) MD with XDATCAR updated every 50 steps

PREC = M
SMASS = 0.01
POTIM = 3.0
TEBEG = 300
TEEND = 800

#--------------- save memory--------------

ISYM = 0
LCHARG = .FALSE.
LELF = .FALSE.
LWAVE = .TRUE.

#----------------------------------------------------------------


With this INCAR my job run up to 10-20 ionic steps and then stop with the following error message .....
RSPHER: internal ERROR: 58 -7 6 -43
RSPHER: internal ERROR: 52 -7 2 -43
RSPHER: internal ERROR: 19 -7 1 -43
RSPHER: internal ERROR: 57 -7 2 -43
RSPHER: internal ERROR: 61 -7 6 -43
RSPHER: internal ERROR: 54 -7 2 -43
.
.
.
.
RSPHER: internal ERROR: 52 -7 2 -43
RSPHER: internal ERROR: 61 -7 6 -43

Please help me in this regard.
Thanks in advance.

<span class='smallblacktext'>[ Edited ]</span>

Re: RSPHER: internal ERROR:

Posted: Tue Sep 10, 2024 2:30 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