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natom=3


Chronological Thread 
  • From: "Larry E. Johnson" <gridphysics@hotmail.com>
  • To: forum@abinit.org
  • Subject: natom=3
  • Date: Tue, 08 May 2007 20:37:48 -0500

I have encountered a strange behavior while doing lesson 1:  I decided to try doing the oxygen atom too, using 08o.pspgth, and it worked ok, but then when I tried making natom=3, typat=1 1 1, etc. for ozone, suddenly abinis.exe can no longer see the keyword xcart.  (I'm using coords like 1.4 0.0 0.0   -1.4 0.0 0.0   0.0 1.2 0.0  in Bohr.)  What's wrong?  
Thanks.
Larry E. Johnson  (files used, attached)


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