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This commit is contained in:
Juerg Hutter 2026-07-17 13:38:52 +02:00
parent c036843911
commit 66fc195e3c
1 changed files with 1 additions and 1 deletions
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2
src/xtb_ks_matrix.F
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@ -445,7 +445,7 @@ CONTAINS
"London dispersion energy: ", energy%dispersion
IF (dft_control%qs_control%xtb_control%do_spinpol) THEN
WRITE (UNIT=iounit, FMT="(T9,A,T60,F20.10)") &
"Spin polarisation correction: ", energy%xtb_spinpol
"Spin polarisation correction: ", energy%xtb_spinpol
END IF
IF (dft_control%qs_control%xtb_control%xb_interaction) THEN
WRITE (UNIT=iounit, FMT="(T9,A,T60,F20.10)") &