self-consistent calculation with high cutoff not running !!

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rksb_physics
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self-consistent calculation with high cutoff not running !!

#1 Post by rksb_physics » Tue Nov 18, 2014 10:13 am

Dear all vasp users,

I am doing self consistent calculation of 60 atoms cell using vasp-5.3.3. When I am using 600 eV cutoff self-consistent calculation converged well, but with 700eV the self-consistent does not run . It comes out of que with error...

LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
REAL_OPTLAY: internal error (1) 3528945, 3529161
REAL_OPTLAY: internal error (1) 3528945, 3529161
REAL_OPTLAY: internal error (1) 3528945, 3529161
REAL_OPTLAY: internal error (1) 3528945, 3529161
REAL_OPTLAY: internal error (1) 3528945, 3529161
REAL_OPTLAY: internal error (1) 3528945, 3529161
REAL_OPTLAY: internal error (1) 3528945, 3529161
REAL_OPTLAY: internal error (1) 3528945, 3529161
REAL_OPTLAY: internal error (1) 3528945, 3529161

Please somebody help me with this issue.

Thanks in advance.

support_vasp
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Re: self-consistent calculation with high cutoff not running !!

#2 Post by support_vasp » Thu Sep 12, 2024 7:25 am

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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