From 6db5d1375da17a814f2dbe8192c5b45ffe7bc72c Mon Sep 17 00:00:00 2001 From: paulatto Date: Thu, 13 Sep 2007 10:33:17 +0000 Subject: [PATCH] A check for conflicting input was in the wrong place, causing possible crashes and no check. LP git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4237 c92efa57-630b-4861-b058-cf58834340f0 --- atomic/ld1_readin.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/atomic/ld1_readin.f90 b/atomic/ld1_readin.f90 index c52a70de0..961fb72ca 100644 --- a/atomic/ld1_readin.f90 +++ b/atomic/ld1_readin.f90 @@ -395,8 +395,6 @@ subroutine ld1_readin call errore('ld1_readin','nconf is wrong',1) if (iswitch == 3 .and. nconf > 1) & call errore('ld1_readin','too many test configurations',1) - if (rel==2.and.lsdts(nc)==1) call errore('ld1_readin',& - 'Fully relativistic spin-polarized calculations not allowed',1) if (frozen_core.and.lsdts(1)==1) call errore('ld1_readin',& 'With frozen-core the first configuration must be spin-unpolarized',1) if (iswitch==3.and.lsdts(1)==1) call errore('ld1_readin',& @@ -406,6 +404,8 @@ subroutine ld1_readin do nc=1,nconf if (lsdts(nc)<0.or.lsdts(nc)>1) call errore('ld1_readin', & 'lsdtsi must be 0 or 1',1) + if (rel==2.and.lsdts(nc)==1) call errore('ld1_readin',& + 'Fully relativistic spin-polarized calculations not allowed',1) if (configts(nc) == ' ') then if (ionode) & call read_psconfig (rel, lsdts(nc), nwftsc(nc), eltsc(1,nc), &