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--- tersoff_potential [2010/10/13 13:39]
zdech
+++ tersoff_potential [2011/02/18 13:13] (current)
@@ Line 3: / Line 3: @@
 defined in DASSEMBLERS/getforce_classic_Tersoff.f90
-The implementation use the shape of tersoff potential published in
+The implementation uses the shape of tersoff potential published in:
   * PRB37(1988)6991
-  * PRB39(1989)5566 (here were some types in parameters for C and Si)
+  * PRB39(1989)5566 (alloys)
 (with aij=1)
 The parameters of the potential are defined in file Cdata/Tersoff.dat.
+===== Supported systems =====
+  * Si, Ge, C, C-Si, Si-Ge (PRB39(1989)5566 + corrections), optimized for bulk or surfaces
+  * Si, Si-O, O (Computational Materials Science 39 (2007) 334–339), optimized for molecules and clusters
+  * Si, As clusters ( Vacuum,44(1993)377 )
 ====Example of input file Tersoff.dat:====
   #       A           B       lambda1 lambda2 lambda3 beta        n       c           d           h       R       ksi     S
@@ Line 19: / Line 25: @@
 ====Example - Si246 cluster====
-(You must correct the file/directory where symlinks point to).
 {{:fireball:si246.tar.gz| You can download the example here}}
+(You must correct the paths to file/directory where symlinks point to).

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