From f8f260c670191f42b6c4d5d533f6e23fefcfd798 Mon Sep 17 00:00:00 2001 From: QuanSheng Wu Date: Wed, 11 Apr 2018 19:59:12 +0200 Subject: [PATCH] fixed a bug in fermisurface.f90 --- soc/fermisurface.f90 | 11 ++++------- 1 file changed, 4 insertions(+), 7 deletions(-) diff --git a/soc/fermisurface.f90 b/soc/fermisurface.f90 index 28b01f92..dfdeb2c2 100644 --- a/soc/fermisurface.f90 +++ b/soc/fermisurface.f90 @@ -41,15 +41,12 @@ subroutine fermisurface3D nband_max= Numoccupied+ 8 endif - if (nband_min< 1) then + if ((nband_min< 1).or.(nband_max> Num_wann)) then nband_min= 1 nband_max= 4 - if (SOC>0) nband_max = 8 - endif - - if (nband_max> Num_wann) then - nband_max= Num_wann - nband_min= Num_wann-4 + nband_max= min(4, Num_wann) + nband_min= max(1, Num_wann-4) + if (SOC>0) nband_max= min(8, Num_wann) if (SOC>0) nband_min= max(1, Num_wann-8) endif