applicability of hybrid/scaled born potential for calphy

[kazushige-hyodo]

Using calphy, I want to calculate free energy of ionic liquid phase using born potential with pair style hybrid/scaled
From the previous questions, I undestand it is probably possible in the solid phase using potential_file keyword.

however, though the hybrid/scaled style is applicable, is it difficult to apply in the liquid phase?

The detailed input script in the Lammps is as follows.

---

atom_style charge
units real
boundary p p p

read_data ${T}.lmp

#*** define pair_style and pair_coeff for born and coulomb potential
pair_style hybrid/scaled 1.0 born 10 1.0 coul/long 10

pair_coeff 1 1 born 0.4202 0.420 3.999 0.000 0.000
pair_coeff 1 2 born 0.3261 0.326 3.484 0.000 0.000
pair_coeff 2 2 born 0.2320 0.232 2.970 0.000 0.000
pair_coeff * * coul/long

kspace_style ewald 1.0e-5

---

[srmnitc]

Unfortunately it is not possible for the liquid phase. This feature has been planned for some time. I will keep this issue open.

[kazushige-hyodo]

Thanks. I'm really looking forward to your future updates!