Hello.
I'm trying to do structure relaxation calculations for graphene. I choosed a following cell for a special purpose.
SYSTEM=Graphene
1.42430000000000000
0.8660000000000000 7.5000000000000000 0.0000000000000000
-0.8660000000000000 7.5000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 10.500000000000000
10
Cart
0.00000 1.00000 0.00000
0.00000 2.00000 0.00000
0.00000 4.00000 0.00000
0.00000 5.00000 0.00000
0.00000 7.00000 0.00000
0.00000 8.00000 0.00000
0.00000 10.0000 0.00000
0.00000 11.0000 0.00000
0.00000 13.0000 0.00000
0.00000 14.0000 0.00000
At first, it gives an Error: VERY BAD NEWS! internal error in subroutine PRICEL (probably precision problem, try to change SYMPREC in INCAR ?):
Sorry, number of cells and number of vectors did not agree.
I increased SYMPREC and then it gives another Error: VERY BAD NEWS! internal error in subroutine LATTYP:
Cellvolume is zero !
I checked the POSCAR and can not figure out what's the problem. I need help. Thanks a lot.
VASP 4.6 Error: VERY BAD NEWS! internal error in subroutine LATTYP:
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VASP 4.6 Error: VERY BAD NEWS! internal error in subroutine LATTYP:
Last edited by gg_tree on Wed Jun 24, 2009 5:59 pm, edited 1 time in total.
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Re: VASP 4.6 Error: VERY BAD NEWS! internal error in subroutine LATTYP:
Hi,
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