Hello everyone,
I am doing the relaxation of CoSb3. Everything was totally fine when I run with 10x10x10 kpoints, but VASP is terminated with CHG, CHGCAR, CONTCAR, OSZICAR, ans WAVECAR empty and with DOSCAR, EIGENVAL, PCDAT, and XDATCAR only having head lines when I use 40x40x40 kpoints. I am wondering where I did wrong.
The error message for 40x40x40 kpoints:
VERY BAD NEWS! internal error in subroutine IBZKPT:
Reciprocal lattice and k-lattice belong to different class of lattices. Often results are still useful... 20
May someone please help me out? Thank you so very much.
VASP can't run when I started with higher kpoints
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bioggg
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VASP can't run when I started with higher kpoints
Last edited by bioggg on Sat Nov 02, 2013 12:59 am, edited 1 time in total.
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support_vasp
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Re: VASP can't run when I started with higher kpoints
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