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

The routine calculating the exchange-correlation energy could produce 

NaN's under some circumstances


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3865 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2007-03-19 18:08:20 +00:00
parent 67d48e688a
commit c56705958e
2 changed files with 1 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
atomic/Makefile
View File

@ -113,6 +113,6 @@ tldeps:
test -n "$(TLDEPS)" && ( cd .. ; $(MAKE) $(MFLAGS) $(TLDEPS) || exit 1) || :
clean:
- /bin/rm -f *.o *.F90 *.x $(LIB) *~ *.d *.mod *.tmp.* work.pc
- /bin/rm -f *.o *.F90 *.x $(LIB) *~ *.d *.mod *.tmp.* *.L
include make.depend

2
atomic/exc_t.f90
View File

@ -44,7 +44,5 @@ function exc_t(rho,rhoc,lsd)
endif
endif
exc_t=e2*(ex+ec)
return
end function exc_t