From 7e4d08f51ffa052b79220d5f1b0b716a8b54fd20 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 21 Jan 2021 11:03:19 +0100 Subject: [PATCH] Update Davidson parameters --- src/davidson/davidson_parallel.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/davidson/davidson_parallel.irp.f b/src/davidson/davidson_parallel.irp.f index 3fdddad4..9b2dc045 100644 --- a/src/davidson/davidson_parallel.irp.f +++ b/src/davidson/davidson_parallel.irp.f @@ -441,7 +441,7 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze) if (imin==1) then istep = 2 else - istep = 1 + istep = 2 endif do ishift=0,istep-1 write(task(ipos:ipos+50),'(4(I11,1X),1X,1A)') imin, imax, ishift, istep, '|'