You can take value more than 70 Ry for which energy converges Arun Kumar Research Scholar Deptt of Physics Himachal Pradesh University Shimla-5 Himachal Pradesh India
________________________________ From: mamta chauhan <[email protected]> To: [email protected] Sent: Friday, 1 June 2012, 14:58 Subject: [SIESTA-L] what should be meshcut off energy Dear Users I am applying the convergence test for NaCl crystal.For that I took mesh cut off energy from 30 Ryd onwards.I found that after 70 Ryd total energy was constant upto 110 Ryd. on increasing the mesh cut off further the total energy became constant. I would like to know what value of mesh cut off should be selected. Thanks Mamta
