Skip to content

Commit 898f478

Browse files
committed
refine the warning lines skipping autoset magmom
1 parent 1bec2e6 commit 898f478

1 file changed

Lines changed: 5 additions & 5 deletions

File tree

source/source_cell/read_atoms.cpp

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -125,15 +125,15 @@ bool unitcell::read_atom_positions(UnitCell& ucell,
125125
} // end for ntype
126126

127127
// Auto-set magnetization if needed.
128-
// symmetry=1 means "analyze and preserve the symmetry of the initial magnetic
129-
// moment"; an all-zero moment is a legitimate nonmagnetic choice under the full
130-
// point group, so do not override it with an autoset seed. Warn instead.
128+
// symmetry=1 means "analyze and preserve the symmetry of the initial magnetic moment";
129+
// an all-zero moment is a legitimate nonmagnetic choice under the full point group,
130+
// so do not override it with an autoset seed. Warn instead.
131131
if (symmetry == 1)
132132
{
133133
ofs_running << "\n WARNING: initial magmom is all zero and symmetry=1; "
134-
<< "autoset magnetism is SKIPPED to preserve the symmetric (nonmagnetic) state.\n"
134+
<< "autoset magnetism is SKIPPED to preserve the symmetry of the initial (nonmagnetic) structure.\n"
135135
<< " If spontaneous magnetism is expected, set magmom explicitly "
136-
<< "in STRU, or use symmetry=-1." << std::endl;
136+
<< "in STRU, or use symmetry = 0 or -1." << std::endl;
137137
}
138138
else
139139
{

0 commit comments

Comments
 (0)