Hi there,
I am trying to perform calculations on bulk Al, and right now I am doing single point energy calculations and varying my k-point mesh to determine convergence. My system has 108 atoms, and runs fine with k-point meshes up to 8x8x8 (Monkhorst-Pack automatic k-point generation). However, when I try to run with meshes 9x9x9 and higher, I get the following error:
VERY BAD NEWS! internal error in subroutine LATTYP:
Cellvolume is zero ! -3
In searching the forum, all other instances of this error I have found occurred when the POSCAR file was invalid and contained overlapping atoms. This is not the case for my system as I can visualize it and run calculations for certain k-point meshes. Can someone please explain why I get this error when I try to increase my k-points? Thank you!
Cellvolume is zero!
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clgold
Cellvolume is zero!
Last edited by clgold on Thu Mar 29, 2012 7:07 pm, edited 1 time in total.
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support_vasp
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Re: Cellvolume is zero!
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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