The ABINIT Users Mailing List ( CLOSED )

[Steven Kirk <Steven.Kirk@htu.se>]

Hello,

I would like to ask if anyone on this list is aware of any ab initio 
electron structure calculations of the high-pressure ice phase ice X. 
This is interesting as it has a Cu_{2}O -type structure, and the 
hydrogen bonds are centrosymmetric (i.e. the H atom is equidistant from 
both what would be conventionally regarded as the 'donor' and 'acceptor' 
O atoms).

I have searched the Phys. Rev. and Nature indices, with no success thus 
far. I would be grateful for any pointers to literature or web pages of 
active researchers in this area.

Many thanks in advance,
Steve Kirk
--
Dr. Steven R. Kirk          <Steven.Kirk@htu.se, S.R.Kirk@physics.org>
Dept. of Computer Science, TMD               http://taconet.webhop.org
Univ. of Trollhattan/Uddevalla   Ph: +46 520 475318 Fax:+46 520 475399
P.O. Box 957 Trollhattan 461 29 SWEDEN