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Minor Hubbard-related changes

This commit is contained in:
Iurii Timrov 2022-06-08 13:45:23 +02:00
parent 9f0625f2de
commit fc33c29a18
2 changed files with 3 additions and 3 deletions
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4
Modules/read_namelists.f90
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@ -1768,7 +1768,7 @@ MODULE read_namelists_module
allowed = .FALSE.
ENDIF
IF (ANY(Hubbard_V(:,:,:)>eps24)) THEN
WRITE( stdout, '(/5x,"WARNING!!! The input parameter Hubbard_J is obsolete.")' )
WRITE( stdout, '(/5x,"WARNING!!! The input parameter Hubbard_V is obsolete.")' )
allowed = .FALSE.
ENDIF
IF (ANY(backall(:))) THEN
@ -1778,7 +1778,7 @@ MODULE read_namelists_module
IF (.NOT.allowed) THEN
WRITE( stdout, '(/5x,"WARNING!!! The input syntax for DFT+Hubbard codes has &
&changed since v7.1")' )
WRITE( stdout, '(/5x,"WARNING!!! Check the new documentation!")' )
WRITE( stdout, '(/5x,"WARNING!!! Check the new documentation (Doc/Hubbard_input)!")' )
CALL errore( sub_name, 'DFT+Hubbard input syntax has changed since v7.1', 1 )
ENDIF
!

2
PW/src/orthoatwfc.f90
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@ -455,7 +455,7 @@ SUBROUTINE calculate_doverlap_inv (m, e, work, doverlap, doverlap_inv)
!! Note, on the input this routine requires dO (not transposed).
!! The solution is written in a closed form by solving the Lyapunov
!! equation (a particular case of the Sylvester equation).
!! See Eq. (32) in PRB 102, 235159 (2020).
!! See Eq. (32) in PRB 105, 199901(E) (2022).
!! Written by I. Timrov (June 2020)
!
USE kinds, ONLY : DP