[Pw_forum] projwfc.x error

YY xrhino at gmail.com
Wed Feb 23 05:13:19 CET 2011


Dear All,

After the scf calculation, I try to use projwfc.x to calculate the PDOS, but
get an error message like this:
    Calling projwave ....
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        10
     error while reading from file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I am sure the inputfile is right and the related files exists, because I can
calculate total DOS by dos.x correctly.
I search the archive of this forum, the same problem was report several
times, but no clear answer.
I compiled pw.x and projwfc.x from the same version source code (v4.2.1).
No matter I use 1 CPU or the same number CPUs as used in pw.x, I get the
same error message.

Does anyone can give some useful information about it?
Best wishes.

Yuyang Zhang
Nanoscale Physics and Devices Laboratory
Institute of Physics, Chinese Academy of Sciences
Beijing 100190, P. R. China
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