As suggested in the error message you have to write &inputpp
and not &Charges See also http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PP.html Thomas ehsan targholi <targholi at gmail.com> a ?crit?: > Excuse me . i now attach the file. > > > On Wed, Feb 5, 2014 at 11:08 PM, Hadi Arefi <hadi.arefi at tyndall.ie> wrote: > >> Hi, >> >> >> >> Not quite sure but I think some parameter(s) has changed in the >> pp.inname list in recent version compare to old ones as it was >> discussed while >> ago in the forum. Better you just download the new example folder as well >> or modify it based on new changes. >> >> By the way I didn't get your attachment so I think nobody did. >> >> >> >> H. >> >> >> >> >> >> *From:* pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] >> *On >> Behalf Of *ehsan targholi >> *Sent:* 05 February 2014 18:50 >> *To:* PWSCF Forum >> *Subject:* Re: [Pw_forum] charge density cal. >> >> >> >> Dear all >> >> thanks a lot for your reply >> >> i use Example 5 of the QE-4.3.2 with espresso 5.3.2 >> >> i attached my input file. pleas explore input file and guide me again. >> >> best regard >> >> ehsan targholi >> >> graduate student of iust >> >> >> >> On Wed, Feb 5, 2014 at 9:06 PM, Manu Hegde <mhegde at uwaterloo.ca> wrote: >> >> please give the input information as well! >> >> >> >> On Wed, Feb 5, 2014 at 11:43 AM, ehsan targholi <targholi at gmail.com> >> wrote: >> >> hi >> >> espresso users >> >> i want to obtain the charge density of si in example 5. but when i use >> pp.x calculation with &inputpp namelist, after scf , give this error: >> >> >> >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> >> Error in routine postproc (1): >> >> reading inputpp namelist >> >> >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> >> >> >> stopping ... >> >> what is my mistake ? >> >> >> >> >> >> best regard >> >> >> >> ehsan targholi >> >> graduate student of iust >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program.
