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anisotropic_temperature_factors [2009/08/27 17:52]
johnsoevans
anisotropic_temperature_factors [2012/07/19 15:42] (current)
joulchen
Line 1: Line 1:
 ===== Anisotropic Temperature Factors ===== ===== Anisotropic Temperature Factors =====
-To refine anisotropically all you need to do is delete "beq @ 0.23" from the end of the site line and type "adp" instead. After one cycle of refinement this line gets replaced by the correct adp macro. In TA all sites are forced to be positive definite by default. ​ If you'd rather let adps go negative then think about why (my preference --- //​[[john.evans@durham.ac.uk|John Evans]] 2009/08/27 17:44//) then try adding the macro below:+To refine anisotropically all you need to do is delete "beq @ 0.23" from the end of the site line and type "adps" instead. After one cycle of refinement this line gets replaced by the correct adp macro. In TA all sites are forced to be positive definite by default. ​ If you'd rather let adps go negative then think about why (my preference --- //​[[john.evans@durham.ac.uk|John Evans]] 2009/08/27 17:44//) then try adding the macro below:
  
 <code topas> ​     macro adp_no_limits <code topas> ​     macro adp_no_limits

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