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check and automatic set num_init and num_basis_max

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Oscar Baseggio 2023-04-06 09:25:13 +02:00 committed by Oscar Baseggio
parent 300252c6a7
commit 522f49679e
1 changed files with 15 additions and 0 deletions
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15
TDDFPT/src/lr_readin.f90
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@ -355,6 +355,21 @@ SUBROUTINE lr_readin
!
ENDIF
!
IF (davidson) THEN
!
! check and set num_init and num_basis_max
!
IF (num_init < num_eign ) THEN
WRITE(stdout,'(5X,"num_init is too small, set to num_init = 2*num_eign")')
num_init = 2 * num_eign
ENDIF
IF (num_basis_max < 2*num_init ) THEN
WRITE(stdout,'(5X,"num_basis_max is too small, set to num_basis_max = 4*num_init")')
num_basis_max = 4 * num_init
ENDIF
!
ENDIF
!
#if defined(__MPI)
ENDIF
!