Dear Paolo, Thank you for taking the time to respond to my question. I will work as your advice.
Greeting. PhD Student Centro de Investigacion en Materiales Avanzados,S.C. Mexico. El lun., 18 mar. 2019 a las 13:19, Paolo Giannozzi (<[email protected]>) escribió: > From Doc/release-notes file: > --- > Incompatible changes in version 6.4 version: > [...] > * Old format (-D__OLDXML) deleted. Everything should work as before but > some > exotic options might have problems. The following utilities no longer > work: > - cppp.x (was reading old format only) > - importexport.x (superseded by hdf5 for portable binaries) > - bgw2pw.x (was writing old format only) > --- > v.6.3 works only if you use the old XML format > > Paolo > > On Mon, Mar 18, 2019 at 6:02 PM Muhydeen Olakunle Adelani < > [email protected]> wrote: > >> Dear QE User, >> >> I am getting an error while post processing using cppp.x in qe-6.3 and qe-6.4 >> >> task # 19 >> from cppp : error # 1 >> Cannot open file .//cp_51.save//data-file.xml >> So I searched in the QE forum about this and found out that Paolo has >> already given a solution for this in the following post dated 2008. >> >> http://www.democritos.it/pipermail/pw_forum/2008-May/009022.html >> >> I don't know why the code stick to the default value of ndr(51) instead of >> using the one generated from the previous run. >> >> I attached my input file.Please help me on this. >> >> &INPUTPP >> prefix = 'FG12, >> fileout = 'postproc', >> outdir = './tmp/', >> output = 'xsf', >> ndr = 94, >> charge =.false., >> atomic_number(1)=26, >> atomic_number(2) = 31, >> ldynamics =.true., >> nframes = 200, >> / >> Greeting. >> >> PhD Student >> Centro de Investigacion en Materiales Avanzados,S.C. >> Mexico. >> _______________________________________________ >> users mailing list >> [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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