From 6d1f373e8d04fd8b5f6224866688f4951e05a9a8 Mon Sep 17 00:00:00 2001 From: calandra Date: Sun, 23 Aug 2015 10:14:33 +0000 Subject: [PATCH] edge should be either L2 or L3 for L23 edges, not L23. Added a check in input. MCB git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11702 c92efa57-630b-4861-b058-cf58834340f0 --- XSpectra/src/read_input_and_bcast.f90 | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/XSpectra/src/read_input_and_bcast.f90 b/XSpectra/src/read_input_and_bcast.f90 index cd64425cf..478fec1fe 100644 --- a/XSpectra/src/read_input_and_bcast.f90 +++ b/XSpectra/src/read_input_and_bcast.f90 @@ -259,6 +259,12 @@ subroutine read_input_and_bcast(filerecon, r_paw) call stop_xspectra() ENDIF + IF(trim(adjustl(edge)).eq.'L23') then + write(stdout,*) 'Calculation of either L2 or L3' + write(stdout,*) 'Please choose the one you want' + call stop_xspectra() + ENDIF + IF(xang_mom.eq.2.and. & (trim(adjustl(edge)).eq.'L2'.or.trim(adjustl(edge)).eq.'L3'& .or.trim(adjustl(edge)).eq.'L23') ) then