scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

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
This commit is contained in:
calandra 2015-08-23 10:14:33 +00:00
parent 623f613a8d
commit 6d1f373e8d
1 changed files with 6 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
XSpectra/src/read_input_and_bcast.f90
View File

@ -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