Dear Rebaza Thanks so much I changed the smearing tag to "mv" or "mp" and didn't see changed result and so I use "smearing tag= fd" job not converged.
yes my system is metal I increase degauss to 0.005 result don't changed in addition (-TS) is increased. I change starting magnetization for atoms in input for all atoms and obtain different total magnetization and absolute magnetization. which of them is true?I confuse in the spin polarized calculation total magnetization=0 and absolute magnetization=1.44 This is false ? I attach files. Thanks so much Best Regards
scf-spin.xlsx
Description: MS-Excel 2007 spreadsheet
scf-spin-D1.xlsx
Description: MS-Excel 2007 spreadsheet
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