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 > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140205/ca23d238/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: chrg.in Type: application/octet-stream Size: 367 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140205/ca23d238/attachment.obj
