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: > > 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 > http://arxiv.org/abs/mtrl-th/9511002v1 [Comp. Phys. Commun. vol. 94, pp. > 31-48 (1996)] > > > On 6/15/2015 1:08 AM, shamik chakrabarti wrote: > >> >> 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 regards, >> -- >> Shamik Chakrabarti >> Senior Research Fellow >> Dept. of Physics & Meteorology >> Material Processing & Solid State Ionics Lab >> IIT Kharagpur >> Kharagpur 721302 >> INDIA >> > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > -- Shamik Chakrabarti Senior Research Fellow Dept. of Physics & Meteorology Material Processing & Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA
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