diff --git a/doc/pair_bop.html b/doc/pair_bop.html index 73479a3916..0952ed896d 100644 --- a/doc/pair_bop.html +++ b/doc/pair_bop.html @@ -40,9 +40,14 @@ transferability to different phases can approach that of quantum mechanical methods. This potential is similar to the original BOP developed by Pettifor (Pettifor_1, Pettifor_2, Pettifor_3) and later updated -by Murdick, Zhou, and Ward (Murdick, Ward). As of -summer 2015, BOP potential files for these systems are provide with -LAMMPS: AlCu, CCu, CdTe, CuH, GaAs. +by Murdick, Zhou, and Ward (Murdick, Ward). +Currently, BOP potential files for these systems are provided with +LAMMPS: AlCu, CCu, CdTe, CdTeSe, CdZnTe, CuH, GaAs. A sysstem with +only a subset of these elements, including a single element (e.g. C or +Cu or Al or Ga or Zn or CdZn), can also be modeled by using the +appropriate alloy file and assigning all atom types to the +singleelement or subset of elements via the pair_coeff command, as +discussed below.

The BOP potential consists of three terms:

diff --git a/doc/pair_bop.txt b/doc/pair_bop.txt index 9c071aaa9a..a94e8ed3f1 100644 --- a/doc/pair_bop.txt +++ b/doc/pair_bop.txt @@ -34,9 +34,14 @@ transferability to different phases can approach that of quantum mechanical methods. This potential is similar to the original BOP developed by Pettifor ("Pettifor_1"_#Pettifor_1, "Pettifor_2"_#Pettifor_2, "Pettifor_3"_#Pettifor_3) and later updated -by Murdick, Zhou, and Ward ("Murdick"_#Murdick, "Ward"_#Ward). As of -summer 2015, BOP potential files for these systems are provide with -LAMMPS: AlCu, CCu, CdTe, CuH, GaAs. +by Murdick, Zhou, and Ward ("Murdick"_#Murdick, "Ward"_#Ward). +Currently, BOP potential files for these systems are provided with +LAMMPS: AlCu, CCu, CdTe, CdTeSe, CdZnTe, CuH, GaAs. A sysstem with +only a subset of these elements, including a single element (e.g. C or +Cu or Al or Ga or Zn or CdZn), can also be modeled by using the +appropriate alloy file and assigning all atom types to the +singleelement or subset of elements via the pair_coeff command, as +discussed below. The BOP potential consists of three terms: