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Calculation stops without warning

Posted: Sat Mar 08, 2008 8:49 pm
by ahromero
I have sent a calculation of a very simple system
and Vasp starts by reading the pseudo file, which is fine and
it is written in the OUTCAR
US Zn :
energy of atom 1 EATOM=-1489.7187
kinetic energy error for atom= 0.0017 (will be added to EATOM!!)
US O :
energy of atom 2 EATOM= -429.1268
kinetic energy error for atom= 0.0618 (will be added to EATOM!!)

EXHCAR: internal setup
exchange correlation table for LEXCH = 7
RHO(1)= 0.500 N(1) = 2000
RHO(2)= 100.500 N(2) = 4000

POSCAR: Zn6O6
positions in cartesian coordinates

and then, it leaves with out any warning.. I can see what the problem is..

thanks!

Re: Calculation stops without warning

Posted: Wed Sep 04, 2024 12:13 pm
by support_vasp

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