From 19347413c56452b87b179ae03875a97bb612ae75 Mon Sep 17 00:00:00 2001
From: Paolo Giannozzi
Date: Tue, 17 Jul 2018 15:07:49 +0200
Subject: [PATCH] Obsolete and misleading comment removed
---
PHonon/PH/matdyn.f90 | 10 +++-------
1 file changed, 3 insertions(+), 7 deletions(-)
diff --git a/PHonon/PH/matdyn.f90 b/PHonon/PH/matdyn.f90
index e09e21c2e..6d9c9f803 100644
--- a/PHonon/PH/matdyn.f90
+++ b/PHonon/PH/matdyn.f90
@@ -165,7 +165,8 @@ PROGRAM matdyn
LOGICAL :: dos, has_zstar, q_in_cryst_coord, eigen_similarity
COMPLEX(DP), ALLOCATABLE :: dyn(:,:,:,:), dyn_blk(:,:,:,:), frc_ifc(:,:,:,:)
COMPLEX(DP), ALLOCATABLE :: z(:,:)
- REAL(DP), ALLOCATABLE:: tau(:,:), q(:,:), w2(:,:), freq(:,:), wq(:), dynq(:,:,:), DOSofE(:)
+ REAL(DP), ALLOCATABLE:: tau(:,:), q(:,:), w2(:,:), freq(:,:), wq(:), &
+ dynq(:,:,:), DOSofE(:)
INTEGER, ALLOCATABLE:: ityp(:), itau_blk(:)
REAL(DP) :: omega,alat, &! cell parameters and volume
at_blk(3,3), bg_blk(3,3), &! original cell
@@ -533,7 +534,7 @@ PROGRAM matdyn
ALLOCATE ( dyn(3,3,nat,nat), dyn_blk(3,3,nat_blk,nat_blk) )
ALLOCATE ( z(3*nat,3*nat), w2(3*nat,nq), f_of_q(3,3,nat,nat), &
- & dynq(3*nat,nq,nat), DosofE(nat) )
+ dynq(3*nat,nq,nat), DOSofE(nat) )
ALLOCATE ( tmp_w2(3*nat), abs_similarity(3*nat,3*nat), mask(3*nat) )
if(la2F.and.ionode) open(unit=300,file='dyna2F',status='unknown')
@@ -753,11 +754,6 @@ PROGRAM matdyn
END DO
END DO
!
- ! The factor 0.5 corrects for the factor 2 in dos_t,
- ! that accounts for the spin in the electron DOS.
- !
- !WRITE (2, '(F15.10,F15.2,F15.6,F20.5)') &
- ! E, E*RY_TO_CMM1, E*RY_TO_THZ, 0.5d0*DOSofE(1)
IF (ionode) WRITE (2, '(ES12.4,1000ES12.4)') E, SUM(DOSofE(1:nat)), DOSofE(1:nat)
END DO
IF (ionode) CLOSE(unit=2)