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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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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Re: VASP can't run when I started with higher kpoints
Hi,
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