[Pw_forum] PROJWFC namelist error

Muhich Christopher cmuhich at ethz.ch
Fri Apr 15 16:10:33 CEST 2016


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",
     in publications or presentations arising from this work. More details at
     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*** namelist &inputpp no longer valid: please use &projwfc instead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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