[Pw_forum] an error during running pw input of zigzag nanotube

[meisam aghtar]

Hi
first
thanks hande Hande Ustunel for your response
second
I have a problem during running the pw input for a (5,0) nanotube.


&CONTROL
                 calculation = 'scf' ,
                restart_mode = 'restart' ,
                      outdir = '/home/meisam/projhe/5-0/apoint/scratch/' ,
                  pseudo_dir = '/home/meisam/espresso-3.1.1/pseudo/' ,
                      prefix = 'cnt-scf' ,
 /
 &SYSTEM
                       ibrav = 4,
                   celldm(1) = 20,
                   celldm(3) = 0.282460,
                         nat = 20,
                        ntyp = 1,
                     ecutwfc = 30 ,
 /
 &ELECTRONS
              
 
/
ATOMIC_SPECIES
    C   12.00000  C.pz-vbc.UPF
ATOMIC_POSITIONS angstrom
    C      1.957217600    0.000000000    0.000000000
    C      1.583422300    1.150423600    0.710000000
    C      0.604813500    1.861424500    0.000000000
    C     -0.604813500    1.861424500    0.710000000
    C     -1.583422300    1.150423600    0.000000000
    C     -1.957217600    0.000000000    0.710000000
    C     -1.583422300   -1.150423600    0.000000000
    C     -0.604813500   -1.861424500    0.710000000
    C      0.604813500   -1.861424500    0.000000000
    C      1.583422300   -1.150423600    0.710000000
    C      1.583422300    1.150423600    2.130000000
    C      0.604813500    1.861424500    2.840000000
    C     -0.604813500    1.861424500    2.130000000
    C     -1.583422300    1.150423600    2.840000000
    C     -1.957217600    0.000000000    2.130000000
    C     -1.583422300   -1.150423600    2.840000000
    C     -0.604813500   -1.861424500    2.130000000
    C      0.604813500   -1.861424500    2.840000000
    C      1.583422300   -1.150423600    2.130000000
    C      1.957217600    0.000000000    2.840000000
K_POINTS automatic
  1 1 14   1 1 1
error :
Self-consistent Calculation
     iteration #  1
     ecut=    30.00 ryd     beta=0.70
     
Davidson diagonalization with overlap
 IOS = 36
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        10
     i/o error in davcio
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


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