Dear Eduardo
After you mentioned i noticed tha the mesh does not change ... i have
grepped the "InitMesh: MESH =" from my output file and here is the output
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH = 180 x 160 x 384 = 11059200
InitMesh: MESH =153600 x145800 x182250 = -1886683136
I really do not understand what is going on ... another anamoly that i see
is that i have supplied the following lattice vectors as the input
block LatticeVectors
14.982891 0.000680 0.015378
0.000589 12.947787 -0.003033
0.031384 -0.007147 30.441943
%endblock LatticeVectors
but for CG =0 i get the following in the output file
outcell: Unit cell vectors (Ang):
14.700000 0.000000 0.000000
0.000000 12.730580 0.000000
0.000000 0.000000 30.000000
I notice that the job crashed when the cell vector became more then the
input specified
ie
grep "outcell: Cell vector modules (Ang) :" *.out
outcell: Cell vector modules (Ang) : 14.700000 12.730580 30.000000
outcell: Cell vector modules (Ang) : 14.917065 12.920354 30.024935
outcell: Cell vector modules (Ang) : 14.905544 12.910281 30.023611
outcell: Cell vector modules (Ang) : 14.919716 12.900398 30.139252
outcell: Cell vector modules (Ang) : 14.942395 12.884584 30.324281
outcell: Cell vector modules (Ang) : 14.928030 12.894601 30.207079
outcell: Cell vector modules (Ang) : 14.801968 13.042322 30.402947
outcell: Cell vector modules (Ang) : 14.896749 12.931255 30.255680
outcell: Cell vector modules (Ang) : 14.904436 12.918676 30.309642
outcell: Cell vector modules (Ang) : 14.916736 12.898548 30.395983
outcell: Cell vector modules (Ang) : 14.908514 12.912003 30.338265
outcell: Cell vector modules (Ang) : 14.982899 12.947787 30.441960
Could you help me out with what is going on here.
regards
swaroop
