You are giving as an output the xsf (XCrysDen format) version of the 3D FFT file, whereas the input should be the output of pp.x (the name is associated with the fileplot variable in the INPUTPP nameless of pp.x)
Giovanni > On 27 Jan 2016, at 16:28, Karim Elgammal <[email protected]> wrote: > > Dears; > I am trying to get the delta Rho (charge differences) along the z direction, > I want to plot it vs. z value. > so, I am using average.x on the delta rho mesh file, but I get this > forrtl: severe (174): SIGSEGV, segmentation fault occurred > > the inputs are here: https://copy.com/aVW4xU8YzO6yvjuR > <https://copy.com/aVW4xU8YzO6yvjuR> > > hope you can help me. If there is other ways for such calculations, I would > be pleased to know about. > > Karim Elgammal > PhD student in KTH. > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- 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: [email protected] Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
