[Pw_forum] Error in DOS calculation

[Neel Singh]

hi all,

 I have followed example 8 and calculated DOS but i am getting error as
 
from dos : error #         1
     reading inputpp namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...

I have done scf and then nscf successfully and my inputs are below... Please help how to produce DOS and PDOS. Thanks in advance.....

 ==================================================
SCF Inputs
================================================

 &control
    calculation='scf',
    restart_mode='from_scratch',
    prefix='pbo'
    pseudo_dir = '/home/physics/pseudo/',
    outdir='/home/physics/work/dos/temp'
 /
 &system
    ibrav =6, a=7.118300514, b= 7.118300514, c=6.289300454
, nat =24, ntyp= 3,  ecutwfc = 40.0,ecutrho=300,
 occupations='smearing', smearing='methfessel-paxton', degauss=0.02


 /
 &electrons
    mixing_beta = 0.7
    diagonalization = 'david'
    conv_thr =  1.0e-6
/
 &ions
 /

ATOMIC_SPECIES
 /
/
ATOMIC_POSITIONS {angstrom}
/
/
K_POINTS 
 26
0.000 0.000 0.000  1
0.000 0.000 0.125  1
0.000 0.000 0.250  1
0.000 0.000 0.375  1
0.000 0.000 0.500  1                            
0.125 0.125 0.500  1                           
0.250 0.250 0.500  1                          
0.375 0.375 0.500  1                            
0.500 0.500 0.500  1                            
0.500 0.500 0.333  1                             
0.500 0.500 0.166  1                             
0.500 0.500 0.000  1                             
0.375 0.375 0.000  1                             
0.250 0.250 0.000  1                             
0.125 0.125 0.000  1                             
0.000 0.000 0.000  1                             
0.000 0.000 0.166  1                            
0.000 0.000 0.333  1                             
0.000 0.166 0.500  1                           
0.000 0.333 0.500  1                            
0.000 0.500 0.500  1                             
0.000 0.500 0.333  1                             
0.000 0.500 0.166  1                             
0.000 0.500 0.000  1                             
0.000 0.333 0.000  1                             
0.000 0.166 0.000  1

=============================================
Nscf Inputs
============================================


 &control
    calculation='nscf'
    pseudo_dir = '/home/physics/pseudo/',
    outdir='/home/physics/work/dos/temp',
    prefix='pbo',
  
 /
 &system
    ibrav =6, a=7.118300514, b= 7.118300514, c=6.289300454, nat=24, ntyp=3, 
ecutwfc = 40.0,ecutrho=300, occupations='tetrahedra', nbnd= 115, 
    
 /
 &electrons
   mixing_beta=0.7
   conv_thr=1.0e-6
 diagonalization = 'david'
/
&ions
 /

ATOMIC_SPECIES
/
/
ATOMIC_POSITIONS {angstrom}
/
/
K_POINTS {automatic}
 6 6 6 0 0 0
============================================
=========================================
&inputpp
    outdir='/home/physics/work/dos/temp'
    prefix='pbo'
    fildos='pbo.dos',
    Emin=-10.0, Emax=15.0, DeltaE=0.5, ngauss=1,
=======================
Please help,

With regards,
Neel Singh



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