Re: [Wien] Why structural relaxation?

De:* wien-boun...@zeus.theochem.tuwien.ac.at < > wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de sikander Azam < > sikander.physi...@gmail.com> > *Enviado:* lunes, 2 de mayo de 2016 08:32:27 a. m. > *Para:* A Mailing list for WIEN2k users > *Asunto:* [Wien] Why str

Re: [Wien] Why structural relaxation?

oun...@zeus.theochem.tuwien.ac.at> en nombre de delamora <delam...@unam.mx> Enviado: lunes, 2 de mayo de 2016 11:00:56 a. m. Para: A Mailing list for WIEN2k users Asunto: Re: [Wien] Why structural relaxation? Sometimes the change of parameters do not affect the electronic structure results, for example in

Re: [Wien] Why structural relaxation?

gmail.com> Enviado: lunes, 2 de mayo de 2016 08:32:27 a. m. Para: A Mailing list for WIEN2k users Asunto: [Wien] Why structural relaxation? Dear All Why the structural relaxation is important and what will be its effect on the calculations. Thanks in advance. Regards Azam DOS-Bi.pdf Description

[Wien] Why structural relaxation?

Dear All Why the structural relaxation is important and what will be its effect on the calculations. Thanks in advance. Regards Azam ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH