Hello everyone, I'm confronting a probably stupid problem with cppp.x! I saw this problem being reported two times in the forum:
http://www.democritos.it/pipermail/pw_forum/2011-February/019298.html http://www.democritos.it/pipermail/pw_forum/2008-May/009020.html Having read those, I'm still getting the following error: Cannot open file ....espresso/out/cp_51.save/data-file.xml I checked the corresponding address, and the files are there! and I also renamed the save directory and files to match the default cp_51 and ..... This is my input file for cppp.x: &INPUTPP ! prefix=Anatase, fileout=out, output=xsf, outdir=..mypath../espresso/out, wfcdir=..mypath../espresso/out, lcharge=.TRUE., lforces=.TRUE., ldynamics=.TRUE., lpdb=.TRUE., lrotation, ns1, ns2, ns3, np1, np2, np3, nframes=50, ! ndr=90, ! ndw=91, atomic_number(1) 22 atomic_number(2) 8, charge_density, state= KS_1, lbinary=.TRUE. / Although I'm using Q.Espresso.5, I tried to replace fpmdpp.f90 with the file provided by Paolo in the second link! That didn't work either! Many thanks, Nash -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120709/b316ecb5/attachment.htm
