On Wednesday, 14 December 2016 19:49:28 CET sayan chaudhuri wrote: > It is in the second mail in this thread. Mr. Lorenzo Paulatto said the > problem may be because the unit cell is too small.
I cannot say for sure it is too small, for sure it does look quite small to me... An its density is 33 g/cm^3 which is 4 times that of Iron or Tin, 5 times that of Antimonium and 7 times that of Titanium. So unless you just predicted a new super-dense alloy, there is a problem with your input.. The solution is easy: check you geometry hth -- 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 [email protected] http://pwscf.org/mailman/listinfo/pw_forum
