Dear Lorenzo, Thanks for your reply and suggestion. Manu
On Sat, Dec 21, 2013 at 7:03 AM, Lorenzo Paulatto < lorenzo.paulatto at impmc.upmc.fr> wrote: > On 12/21/2013 01:35 AM, Manu Hegde wrote: > > Hello, > > Here is my new input file and output file. Now I am getting some > > reasonable values of total energy!. Hope my things are working better! > > > Dear Manu, > > QE works according to the GIGO principle: > > -- > garbage in, garbage out [?g?r?bij ?in ?g?r?bij ?au?t] (computer science) > A phrase often stressed during introductory courses in computer > utilization as a reminder that, regardless of the correctness of the > logic built into the program, no answer can be valid if the input is > erroneous. Abbreviated GIGO. > -- > McGraw-Hill Dictionary of Scientific & Technical Terms, 6E, Copyright ? > 2003 by The McGraw-Hill Companies, Inc. > -- > > > > > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC -- CNRS & Universit? Paris 6 > phone:+33 (0)1 44275 084 / skype: paulatz > www: http://www-int.impmc.upmc.fr/~paulatto/ > mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 5 > _______________________________________________ > 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/20131221/f437f925/attachment.html
