Hello Lammps users,

I am trying to convert the setfl format of beryllium EAM alloy potential to funcfl format. setfl format consist of r*phi terms directly. However funcfl format consists of effective charge.

The conversion formulation:

r*phi = 27.2 * 0.529 * Zi * Zj

where 1 Hartree = 27.2 eV and 1 Bohr = 0.529 Angstroms.

To convert into funcfl format,

```
Z = sqrt [r*phi/(27.2*0.529)] is required.
However r*phi terms in setfl format consists of -ve terms.
The square root of them will turnout to be complex number.
```

```
How shall i proceed then? Shall I consider r*phi values as
positive number? Kindly suggest some way.
```