[Wien] Total energy of molecular H2

[shamik chakrabarti]

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 <gsabo at 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
>>
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-- 
Shamik Chakrabarti
Senior Research Fellow
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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