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>
RSPHER: internal ERROR:
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RSPHER: internal ERROR:
Last edited by akuritu on Wed Aug 14, 2013 6:28 am, edited 1 time in total.
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- Global Moderator
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Re: RSPHER: internal ERROR:
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.
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VASP