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*** namelist &inputpp no longer valid: please use &projwfc instead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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