[Octopus-users] Turning LCAOStart off
Robertson Burgess
Robertson.Burgess at newcastle.edu.au
Tue Feb 5 23:21:21 WET 2008
Dear Octopus users,
I am a new user to octopus, and I am trying to start off with all
electron calculations using periodic boundary conditions. As it states
in the variable reference guide, to use the all electron species, you
can not use LCAO.
When I looked in the variable reference guide, it states that the
LCAOStart variable is an integer, but does not inform you what integer
corresponds to lcao_none. However when I try and run it, the error
message informs me to set "LCAOStart = no". I have tried LCAOStart= no,
false, 0, lcao_none, none, and a few others. I've tried using quotation
marks or not quotation marks. Unfortunately nothing I do seems to stop
this error message from appearing. It seems that I can not turn
LCAOStart off.
I realise this is probably a very simple question, but any help as to
how to turn it off would be very appreciated.
Many thanks in anticipation of your help,
Robertson Burgess
University of Newcastle
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