[Pw_forum] charge density cal.

ehsan targholi targholi at gmail.com
Wed Feb 5 17:43:09 CET 2014


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140205/ba7e0669/attachment.html>


More information about the users mailing list