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 > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140205/3de4187f/attachment.html
