Dear Fernando ******************************************************* &inputpp ??? prefix? = '...' ??? outdir? = '$TMP_DIR', ??? filplot = '...' ??? plot_num= 0? ---> charge ?/ &plot ? nfile=1 ? filepp(1)='...' ? iflag=3????? ---> 3D plot ? output_format=5? ---> format suitble for xcrysden ? e1(1)=1.0, e1(2)=0.0, e1(3)=0.0, ? e2(1)=0.0, e2(2)=1.0, e2(3)=0.0, ? e3(1)=0.0, e3(2)=0.0, e3(3)=1.0, ? x0(1)=0.0, x0(2)=0.0, x0(3)=0.0, ? nx=45, ny=45, nz=100 ? fileout='....xsf'???????? --> can be plotted with xcrysden /
*************************************************************** ?more details on : http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PP.html#id3121178 ===================================================================== Sakhraoui Taoufik,Phd student Laboratoire de la Mati?re Condens?e & Nanosciences Facult? des sciences de Monastir Avenue de l'environnement 5019-Monastir,Tunisie tel. :(+216) 96 173 454 || 22 618 579 email :tsakhrawi at yahoo.com || tousak at hotmail.fr ===================================================================== ________________________________ De?: Fernando Reboredo <bfr at ornl.gov> ??: PWSCF Forum <pw_forum at pwscf.org> Envoy? le : Mercredi 2 octobre 2013 14h59 Objet?: [Pw_forum] pp.x input Dear All, Can someone send me an example for a complete input file for post processing program pp.x? It might be helpful to add a example to the documentation on http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PP.html. I can appreciate that the documentation on quantum espresso has improved considerably since the last time I used it six years ago. Fernando Reboredo _______________________________________________ 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/20131002/52d7420d/attachment.html
