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!
Calculation stops without warning
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ahromero
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Calculation stops without warning
Last edited by ahromero on Sat Mar 08, 2008 8:49 pm, edited 1 time in total.
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Prof. Aldo Humberto Romero
CINVESTAV-QUERETARO
Libramiento Norponiente No 2000
Real de Juriquilla
76230 Queretaro, Qro, Mexico
email: aromero@qro.cinvestav.mx
Phone: (52)-442-441 4909
Fax: (52) 442 441 4938
www: www.qro.cinvestav.mx/~aromero
Prof. Aldo Humberto Romero
CINVESTAV-QUERETARO
Libramiento Norponiente No 2000
Real de Juriquilla
76230 Queretaro, Qro, Mexico
email: aromero@qro.cinvestav.mx
Phone: (52)-442-441 4909
Fax: (52) 442 441 4938
www: www.qro.cinvestav.mx/~aromero
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support_vasp
- Global Moderator
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Re: Calculation stops without warning
Hi,
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