[Pw_forum] Problem executing file with "ibrav = -12" (with a negative number)

[hqtst42]

Dear everyone,

I am new at quantum espresso and I am facing a problem.
The description of input files as used in the website, I can use ibrav =
-12 when the unique axis is beta. Here is what the system section looks
like.

---------------------------------------

&system
ibrav = -12
space_group = 14
A = 14.667,
B = 7.886,
C = 10.730,
cosAB = 0,
cosAC = -0.16381,
cosBC = 0,
nat = 33
ntyp = 3
ecutwfc =30.0
spline_ps = .true.
tot_charge = 0
/

---------------------------------------

And this does not work, although the same input file setting ibrav = 12
is executed as expected (but the value for cosAC is ignored).
Sorry if this is a naive question or a question already adressed. I
enclosed the input file for the case this is relevant. I use quantum
espresso 6.0.
 
Many thanks in advance,
 
Henri Colaux
Research associate
RIKEN Yokohama





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&control
   calculation = 'relax',
   restart_mode = 'from_scratch',
   prefix = 'testmol',
   verbosity = 'default' ,
   tstress = .true.,
   tprnfor = .true.,
   pseudo_dir = '../',
   outdir = '/tmp/exec-for-all/',
   etot_conv_thr = 0.0001 ,
   nstep = 100,
/
&system
   ibrav = -12
   space_group = 14
   A = 14.667,
   B = 7.886,
   C = 10.730,
   cosAB = 0,
   cosAC = -0.16381,
   cosBC = 0,
   nat = 33
   ntyp = 3
   ecutwfc =30.0
   spline_ps = .true.
   tot_charge = 0
/
&electrons
   electron_maxstep = 100,
   conv_thr = 1.0D-6 ,
   startingpot = 'atomic' ,
   startingwfc = 'atomic' ,
   mixing_mode = 'plain' ,
   mixing_beta = 0.7D0 ,
   mixing_ndim = 8,
   diagonalization = 'david' ,
   scf_must_converge = .FALSE. ,
/
&ions
      ion_dynamics = 'bfgs'
/
&cell
/

ATOMIC_SPECIES
C 12.010  C.pbe-tm-new-gipaw-dc.UPF
H  1.007  H.pbe-tm-new-gipaw-dc.UPF
O 15.999  O.pbe-tm-new-gipaw-dc.UPF

ATOMIC_POSITIONS (crystal_sg)
C 0.698951 0.628230 1.074502
C 0.653624 0.489831 1.010302
C 0.694205 0.403637 0.919377
C 0.780113 0.455842 0.892653
C 0.825441 0.594241 0.956853
C 0.784860 0.680435 1.047778
C 0.653711 0.724321 1.175866
C 0.595834 0.603250 1.247325
C 0.580359 0.849841 1.106156
C 0.825354 0.359751 0.791289
C 0.903519 0.238991 0.855118
C 0.960165 0.187838 0.749930
C 0.863390 0.088747 0.923673
O 0.619942 0.988473 1.094123
O 0.498497 0.807585 1.061312
H 0.577831 1.042025 1.022162
H 0.702553 0.785759 1.234822
H 0.538651 0.662902 1.26303
H 0.583085 0.495444 1.198563
H 0.635210 0.561107 1.326186
H 0.592242 0.452531 1.029396
H 0.661818 0.304750 0.873506
H 0.886823 0.631542 0.937759
H 0.817246 0.779322 1.093649
H 0.776451 0.299027 0.731943
H 0.862122 0.441197 0.748139
H 0.950538 0.305786 0.913104
H 1.000633 0.284464 0.733327
H 0.995027 0.080927 0.774928
H 0.917020 0.149462 0.673156
H 0.915251 0.021056 0.971560
H 0.819519 0.133588 0.977860
H 0.82075 0.020398 0.860709
K_POINTS automatic 
1 1 1 1 1 1