[Pw_forum] Possible reason for "ortho went bananas"

[Zhiping Xu]

Dear all:
    I performed a calculation using cp.x. However I always get "ortho went bananas" errors either using calculation = 'scf' or 'cp'. Previous post on this issue says it's convergence problem. My system converges well using pw.x. I totally have no idea about this bananas error, can someone help me on this? Thanks.
Best,
ZP
-----cp.in--------
&CONTROL
  calculation = 'scf',
  restart_mode= 'from_scratch',
  pseudo_dir  = '/home/xuzp/bin/lib/pwscf_pot/',
  outdir      = './',
  prefix      = 'cp',
  max_seconds = 20000.,
  dt          = 50.,
  nstep       = 20,
  iprint      = 20,
  isave       = 20,
  ndr         = 90, !input_restart unit
  ndw         = 91, !output_restart unit
/
&SYSTEM
  ibrav       = 14,
  a           = 40.000,
  b           =  2.4519514633,
  c           = 20.000,
  cosbc       = 0.,
  cosac       = 0.,
  cosab       = 0.,
  nat           = 20,
  ntyp          = 4,
  ecutwfc    = 30.,
  ecutrho     = 240.,
  nspin       = 1,
  nr1b        = 16,
  nr2b        = 16,
  nr3b        = 16,
/  
&ELECTRONS
  electron_maxstep = 100,
  conv_thr         = 1.D-6,
  electron_dynamics = 'damp',
  electron_damping  = 0.2,
  electron_velocities = 'default',
  emass             = 400.,
  emass_cutoff      = 2.5,
  orthogonalization = 'ortho',
  ortho_eps         = 1.D-8,
  ortho_max         = 100,
/
&IONS
  ion_dynamics = 'verlet',
  ion_nstepe   = 1,
  ion_temperature = 'nose',
  tempw       = 300.D0,
  fnosep      = 1.D0,
  nhpcl       = 1, 
  nhptyp      = 0,
  ndega       = 0,
  tolp        = 100.D0,
  tranp       = .false.,
  remove_rigid_rot = .true.,
/

ATOMIC_SPECIES
C 12.0107  C.pbe-rrkjus.UPF
H 1.00794  H.pbe-rrkjus.UPF
N 14.00674 N.pbe-rrkjus.UPF
O 15.9994  O.pbe-rrkjus.UPF

K_POINTS automatic
 1 8 1 0 0 0

ATOMIC_POSITIONS angstrom
C      5.8598630590     1.2261622260    10.0000000000  
C      4.4498769380     1.2259421420    10.0000000000  
--------------------------------------------------------------
-- 
XU Zhiping, Ph. D
Civil and Environmental Engineering
MIT, Cambridge, MA 02139
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