[Octopus-users] octopus (or my) error: Occupations

[Vladimir Nazarov]

Hi,

I am getting the error message:

octopus: parse.c:353: parse_block_work: Assertion `l>=0 && l<blk->n' 
failed.
forrtl: error (76): IOT trap signal
Aborted

My inp file is below.
Thank you very much for any hint.

Vladimir Nazarov.
Academia Sinica
Taiwan
-------------------------------------------------------------------

CalculationMode = gs

PeriodicDimensions = 3

Spacing=0.6

a = 10.3

BoxShape = parallelepiped
Lsize = a/2

%Species
   'Si' | 1000 | spec_full_delta | 14
%

%Coordinates
   "Si" |   0.0       | 0.0       | 0.0
   "Si" |   a/2       | a/2       | 0.0
   "Si" |   a/2       | 0.0       | a/2
   "Si" |   0.0       | a/2       | a/2
   "Si" |   a/4       | a/4       | a/4
   "Si" |   a/4 + a/2 | a/4 + a/2 | a/4
   "Si" |   a/4 + a/2 | a/4       | a/4 + a/2
   "Si" |   a/4       | a/4 + a/2 | a/4 + a/2
%

%KPointsGrid
8 | 8 | 8
1/4 | 1/4 | 1/4
%

KPointsUseSymmetries = no

KPointsUseTimeReversal = no

%Occupations
2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 
|2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 
|2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 
|2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0 |2.0
%
#above is one line of occupation numbers

OutputHow = binary
Output = wfs+mesh_r

FromScratch = yes