[CPMD-list] On periodic boundary conditions

Keta Jones ketajone at yahoo.com
Tue Oct 1 08:32:59 CEST 2002


Dear All,

Can anyone help me how to build the PP for my water
system ? I have references of Vanderbilt.But I can not
convert the reference to code.I want to reproduce some
results of 
"Ab initio liquid water. k.laasonen et. JCP 9080 99
1993"

It is required only for my BS project.Basically I need
the PP files for water.In my short term project I may
not
get time to know how to develop the PP libraries.Still
if some one helps me I do can do it.

I will greatly appreciate someone's input.

regards,
keta Jones

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