[Pw_forum] Error in DOS and PDOS

Kanak Datta kanakeee08 at gmail.com
Sat Feb 6 11:10:17 CET 2016


Dear all

I have been trying to run the example on dos of Ni. I have done the scf and
nscf calculations as suggested using the same codes given in the example.
However the dos calculation is showing the following error:

*     Error in routine dos (1):*
*     reading dos namelist*

The dos file is given below:

 &dos
    outdir='E:\Quantum ESPRESSO 64-bit 5.1.2-mpich2\ni\outdir'
    prefix='ni'
    fildos='ni.dos',
    Emin=5.0, Emax=25.0, DeltaE=0.1
 /

Similar problem is observed in projected DOS as well.

*     Error in routine do_projwfc (1):*
*     reading projwfc namelist*

The file used for pdos is given below:

 &projwfc
    outdir='E:\Quantum ESPRESSO 64-bit 5.1.2-mpich2\ni\outdir'
    prefix='ni'
    ngauss=0, degauss=0.036748
    DeltaE=0.01
    kresolveddos=.true.
    filpdos='ni.k'
 /


Could you please suggest any solution to the problem?
As I can see, none of the terms or variables appears toe be *mispelled or
wrongly written*. There must be something else.

Thanks.

Sincerely yours
Kanak
EEE, BUET
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