On Saturday, September 12, 2015 07:11:06 PM gyanu khatri wrote: > i have a problem regarding the lattice parameter of mos2 nanoribbon. In > papers it is found to be 3.17 Angstron but in my convergence it comes out > to be 3.03 Angstrom. > Following is my input file for the lattice convergence. > > anyone please help me..
Hello, please, be more specific. If you expect us to need them also send the outputs, because we do not have time to rerun all your calculations. Also, if you find a certain value in a certain paper, tell us exactly which paper. kind regards -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www.impmc.upmc.fr/~paulatto/ 23-24/4é16 Boîte courrier 115 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
