Problem with MSSF optimisation and full cell optimisation (option 3)

[davidbowler]

When performing full cell/ion optimisation (using AtomMove.OptCellMethod 3) with MSSF and optimising the basis set, after the initial ground state search there is some error in how the density is constructed (with the message Charge density from K is strange, requires large scale factor: 1.199000761471). The optimisation proceeds, but this is not correct behaviour and needs fixing.

When using option 2 this does not occur.