Dear SIESTA users,
I'm a new user of SIESTA and I try to run some little input in order to learn
SIESTA.
I have a problem with a calculation of a phenol molecule.
Here is the end of my output :
outcell: Unit cell vectors (Ang):
11.681749 0.000000 0.000000
0.000000 11.681749 0.000000
0.000000 0.000000 13.076909
outcell: Cell vector modules (Ang) : 11.681749 11.681749 13.076909
outcell: Cell angles (23,13,12) (deg): 90.0000 90.0000 90.0000
outcell: Cell volume (Ang**3) : 1784.5177
InitMesh: MESH = 80 x 80 x 90 = 576000
InitMesh: Mesh cutoff (required, used) = 120.000 129.618 Ry
* Maximum dynamic memory allocated = 25 MB
Error in Cholesky factorisation in rdiag
Stopping Program from Node: 0
I don't know what is exactly the problem ?
Thanks in advance
Cornild David
University of Mons-Hainaut
Belgium
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