ABINIT Discussion Forums

Hello,
i am calculating finit electric field in LDA+U for FeTiO3( as you said before lda dosn't work for finit electric field for FeTiO3) but i have an BuG. would you please tell me about this BUG?
Input file:
acell 3*6.20 angstrom
angdeg 60 60 60
spgroup 161
spgaxor 2
natom 10
natrd 3
ntypat 3
znucl 26 22 8
typat 1 1 2 2 3 3 3 3 3 3
ixc 11
xred 0.000000000 0.000000000 0.000000000
0.231000006 0.231000006 0.231000006
0.398999989 0.541000009 0.945999980

iscf 17
nstep 150
nband 200
nbdbuf 0
ecut 25
pawecutdg 40
pawovlp -1.5
ecutsm 0.5
dilatmx 1.05
ngkpt 6 6 6
nshiftk 1
shiftk 0.5 0.5 0.5
toldfe 1.0d-12
usepawu 1
lpawu 2 -1 -1
upawu 4.0 0.0 0.0 ev
jpawu 1.0 0.0 0.0 ev
ndtset 3
jdtset 11
21 # 22 23 24 25
31 # 32 33 34 35

berryopt11 -1 rfdir11 1 1 1

berryopt21 4 efield21 0.0001 0.0001 0.0001 getwfk21 11
berryopt22 4 efield22 0.0002 0.0002 0.0002 getwfk22 21
berryopt23 4 efield23 0.0003 0.0003 0.0003 getwfk23 22
berryopt24 4 efield24 0.0004 0.0004 0.0004 getwfk24 23
berryopt25 4 efield25 0.0005 0.0005 0.0005 getwfk25 24

berryopt31 4 efield31 -0.0001 -0.0001 -0.0001 getwfk31 11
berryopt32 4 efield32 -0.0002 -0.0002 -0.0002 getwfk32 31
berryopt33 4 efield33 -0.0003 -0.0003 -0.0003 getwfk33 32
berryopt34 4 efield34 -0.0004 -0.0004 -0.0004 getwfk34 33
berryopt35 4 efield35 -0.0005 -0.0005 -0.0005 getwfk35 34
BUG:
berryphase_new : BUG -
For k-point # 7,
the determinant of the overlap matrix is found to be 0.
Action : contact ABINIT group.
Best regards.
Mina.