On 06/25/2014 03:10 PM, toufik esssakhri wrote: > a.u for the forc_conv_thr means Ry/bohr**3 and for etot_conv_thr is Ry??
Ry/bohr, not Ry/bohr^3: it's a force. > > i want just to check is this true or not. > it is -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Universit? Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www.impmc.upmc.fr/~paulatto/ 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
