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

Small changes, the routines were not compiling. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1718 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2005-03-17 16:19:38 +00:00
parent 12e16f8852
commit 46730e2c79
3 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
PW/efermig.f90
View File

@ -59,7 +59,7 @@ subroutine efermig (et, nbnd, nks, nelec, wk, Degauss, Ngauss, Ef, is, isk)
Eup = Ef
endif
enddo
if (is /= 0) WRITE(stdout, '(5x,"Spin Component #",i3') is
if (is /= 0) WRITE(stdout, '(5x,"Spin Component #",i3)') is
WRITE( stdout, '(5x,"Warning: too many iterations in bisection"/ &
& 5x,"Ef = ",f10.6," sumk = ",f10.6," electrons")' ) &
Ef * 13.6058, sumkmid

2
PW/efermit.f90
View File

@ -95,7 +95,7 @@ subroutine efermit (et, nbnd, nks, nelec, nspin, ntetra, tetra, ef, is, isk)
ef = efbetter
sumkmid = sumkt (et, nbnd, nks, nspin, ntetra, tetra, ef, is, isk )
if (is /= 0) WRITE(stdout, '(5x,"Spin Component #",i3') is
if (is /= 0) WRITE(stdout, '(5x,"Spin Component #",i3)') is
WRITE( stdout, 9010) ef * rydtoev, sumkmid
! converged exit:
100 continue

2
PW/tweights.f90
View File

@ -17,7 +17,7 @@ subroutine tweights (nks, nspin, nbnd, nelec, ntetra, tetra, et, ef, wg, &
integer, intent(in) :: nks, nspin, nbnd, ntetra, tetra (4, ntetra)
real(kind=DP), intent(in) :: et (nbnd, nks), nelec
real(kind=DP), intent(out) :: wg (nbnd, nks), ef
integer, intent(in) :: is, isk
integer, intent(in) :: is, isk(nks)
! local variables
real(kind=DP) :: e1, e2, e3, e4, c1, c2, c3, c4, etetra (4), dosef
integer :: ik, ibnd, nt, nk, ns, i, kp1, kp2, kp3, kp4, itetra (4)