[Pw_forum] too many bands are not converged

[Banafshe Noori]

Dear all

I have encountered with this error in relaxation of nanotubes.please guide me.


     from c_bands : error #         1
     too many bands are not converged.


 the file of relax.inp is:
&CONTROL
                       title = 10.0cnt ,
                 calculation = 'relax' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/home//tmp' ,
                  pseudo_dir = '/home//espresso-4.3.2/pseudo/' ,
                      prefix = cnt10
                       nstep = 1000
               forc_conv_thr = 1.0d-5
                     tstress = .true. ,
                     tprnfor = .true.
                   verbosity = 'high'
 /
 &SYSTEM
                       ibrav = 4,
                   celldm(1) = 45,
                   celldm(3) = 0.1788941,
                         nat = 40,
                        ntyp = 1,
                     ecutwfc = 50 ,
                 occupations = 'smearing' ,
                     degauss = 0.05 ,
                    smearing = 'methfessel-paxton' ,
 /
 &ELECTRONS
                          conv_thr = 1.0d-12
 /
 &IONS
       ion_dynamics='bfgs'
 /
ATOMIC_SPECIES
    C   12.01078  C.pz-vbc.UPF 
    ATOMIC_POSITIONS angstrom 
C        3.927796042  -0.000000000   0.708057193
C        3.735609040   1.213758318   1.421947256
C        3.177835277   2.308778546   0.708050258
C        2.308774878   3.177668118   1.421952069
C        1.213765191   3.735351406   0.708056121
C       -0.000000000   3.927607724   1.421941004
C       -1.213765191   3.735351406   0.708056121
C       -2.308774878   3.177668118   1.421952069
C       -3.177835277   2.308778546   0.708050258
C       -3.735609040   1.213758318   1.421947256
C       -3.927796042   0.000000000   0.708057193
C       -3.735609040  -1.213758318   1.421947256
C       -3.177835277  -2.308778546   0.708050258
C       -2.308774878  -3.177668118   1.421952069
C       -1.213765191  -3.735351406   0.708056121
C        0.000000000  -3.927607724   1.421941004
C        1.213765191  -3.735351406   0.708056121
C        2.308774878  -3.177668118   1.421952069
C        3.177835277  -2.308778546   0.708050258
C        3.735609040  -1.213758318   1.421947256
C        3.735609040  -1.213758318  -1.421947256
C        3.177835277  -2.308778546  -0.708050258
C        2.308774878  -3.177668118  -1.421952069
C        1.213765191  -3.735351406  -0.708056121
C        0.000000000  -3.927607724  -1.421941004
C       -1.213765191  -3.735351406  -0.708056121
C       -2.308774878  -3.177668118  -1.421952069
C       -3.177835277  -2.308778546  -0.708050258
C       -3.735609040  -1.213758318  -1.421947256
C       -3.927796042   0.000000000  -0.708057193
C       -3.735609040   1.213758318  -1.421947256
C       -3.177835277   2.308778546  -0.708050258
C       -2.308774878   3.177668118  -1.421952069
C       -1.213765191   3.735351406  -0.708056121
C       -0.000000000   3.927607724  -1.421941004
C        1.213765191   3.735351406  -0.708056121
C        2.308774878   3.177668118  -1.421952069
C        3.177835277   2.308778546  -0.708050258
C        3.735609040   1.213758318  -1.421947256
C        3.927796042   0.000000000  -0.708057193
K_POINTS automatic 
  1 1 7   1 1 1 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130308/8ed7caf1/attachment.html>