Re: [Wien] Total energy of molecular H2

Below are reference links on H2 molecule calculations using WIEN2k: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000880.html https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg01274.html https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08114.html

Re: [Wien] Total energy of molecular H2

Dear Gavin, Thanks a lot!!!...It will be very helpful for us. with regards, On Mon, Jun 15, 2015 at 8:48 PM, Gavin Abo gs...@crimson.ua.edu wrote: Below are reference links on H2 molecule calculations using WIEN2k:

[Wien] Total energy of molecular H2

Dear wien2k users, We need to calculate the total energy of H2 molecule. Is there any reference in which it has been done using the code wien2k...or is there any guideline to do so?... Any response in this regard will be helpful for us. Thanks in advance, with