[Pw_forum] PROJWFC namelist error

[Giovanni Cantele]

 fildos -> filpdos , the former is for dos.x

Giovanni

> On 15 Apr 2016, at 16:10, Muhich Christopher <cmuhich at ethz.ch> wrote:
> 
> Hello All,
>  
> I’m trying to calculate the PDOS for my system. I have no problem calculating the wavefunction, NSCF wavefunciton or the total dos (from dos.x). However my setup keeps crashing when I try to run projwfc.x with the following input:
>  
> &PROJWFC
>     prefix  = 'wavedir'
>     Emin = -40.00, Emax = 30.00
>     DeltaE = 0.05,
>     fildos = 'dos.dat'
> /
>  
>  
> The output is:
>  
>      Program PROJWFC v.5.3.0 (svn rev. 11974) starts on 15Apr2016 at 14:56:45
>  
>      This program is part of the open-source Quantum ESPRESSO suite
>      for quantum simulation of materials; please cite
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
>           URL http://www.quantum-espresso.org <http://www.quantum-espresso.org/>",
>      in publications or presentations arising from this work. More details at
>      http://www.quantum-espresso.org/quote <http://www.quantum-espresso.org/quote>
>  
>      Parallel version (MPI), running on     1 processors
> *** namelist &inputpp no longer valid: please use &projwfc instead
>  
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine do_projwfc (19):
>      reading projwfc namelist
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>  
>      stopping ...
>  
>  
> I’m confused because the name list in the input is infact &projwfc.
>  
> Any ideas?
>  
> Best,
> Chris
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-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele

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