About local magnetic moment and total charge of ions
Posted: Wed Nov 08, 2006 5:58 pm
Using PAW method, set LORBIT= 10, vasp will use a so called quick projection scheme to calculate projected wave function character on ion site, like local magnetic moments and total charge of ions. So do someone know something about the quick projection scheme?
At the end of OUTCAR, there are information about the local magnetic moment and total charge of each ion. But without knowing RWIGS( now = -1 in vasp), then how should we understand the value of total charge of ion there?
At the end of OUTCAR, there are information about the local magnetic moment and total charge of each ion. But without knowing RWIGS( now = -1 in vasp), then how should we understand the value of total charge of ion there?