The given config file could not be used! Please check the log for any details. The system has not been reset!

[luqman099]

Hey,

I am new to Spirit and encounter this error every time I load an input.cfg file. As an example, I take the default input.cfg file and make only one change: I decrease n_basis_cells from 100 100 1 to 10 10 1. Even with this one change, I get the following error:

The given config file could not be used! Please check the log for any details. The system has not been reset!

I don't know which "log" file I should look into to see what the problem is. Can anyone please help me?

[YaoShunWei]

Hey,

Do you solved the problem? I change the default input.cfg file from:

Lattice constant for basis and translations

lattice_constant 1.0

The bravais lattice type

bravais_lattice sc

Number of basis cells along principal

directions (a b c)

n_basis_cells 100 100 1

to

bravais_vectors or bravais_matrix

a.x a.y a.z a.x b.x c.x

b.x b.y b.z a.y b.y c.y

c.x c.y c.z a.z b.z c.z

bravais_vectors 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0

The basis cell in units of bravais vectors

n No of spins in the basis cell

1.x 1.y 1.z position of spins within basis

2.x 2.y 2.z cell in terms of bravais vectors

basis 2 0 0 0 0.33333333 0.3333333 0

atom_types

atom_types 1

µSpin

mu_s 2.0 1.0

Number of basis cells along principal

directions (a b c)

n_basis_cells 50 50 1

also get the error.

Do you know how to resolve it? Thank you!