[Octopus-users] Full electron calculation: Problem

[pablo]

Dear users, 

I am having problems performing a gs full electron calculation using the
following input:

CalculationMode = gs
units = eV_Angstrom
XCFunctional = hyb_gga_xc_b3lyp
radius=5.0
spacing=0.20
%Species
"C_all" | 12.0112 | spec_all_e | 6
"O_all" | 15.9994 | spec_all_e | 8
%
% Coordinates
"C_all" |  0.00000000 |   0.00000000  | -0.64439400
"O_all" |  0.00000000 |   0.00000000  |  0.48329500
%


The calculation crashes in the following point:

.
.
.
Input: [SICCorrection = sic_none]
Input: [OEP_level = oep_kli]
**********************************************************************

Input: [FilterPotentials = filter_none]
Input: [RelativisticCorrection = non_relativistic]
Input: [TDGauge = length]
Input: [AbsorbingBoundaries = not_absorbing]


Giving an error message that reads as follows:


**************************** FATAL ERROR *****************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* In dlinsyssolve, LAPACK (d|s)gesvx returned info =   1
**********************************************************************

) = 309
write(1, "\n", 1)                       = 1
close(0)                                = 0

I have been able to run the calculation for the two atoms separately,
and I have already played with PoissonSolver and LCAOStart keywords, but
noway.

I will be very grateful if someone can give me a hint about what is
failing.

Thanks in advance, 

Pablo Lopez