Commit 46a37453 authored by Gregor Michalicek's avatar Gregor Michalicek

Fixed wrong creation of kpts file

parent 51d41f4b
......@@ -60,7 +60,7 @@
REAL :: thetad,xa,epsdisp,epsforce ,rmtmax,arltv1,arltv2,arltv3
REAL :: s,r,d ,idsprs,scale
INTEGER :: ok,ilo,n,nstate,i,j,na,n1,n2,jrc,nopd,symfh
INTEGER :: nmop(3) ,nmopq(3)
INTEGER :: nmopq(3)
CHARACTER(len=1) :: rw
CHARACTER(len=4) :: namex
......@@ -95,7 +95,7 @@
!---> determine ntype,nop,natd,nwdd,nlod and layerd
!
CALL first_glance(atoms%ntype,sym%nop,atoms%natd,obsolete%nwdd,atoms%nlod,vacuum%layerd,&
input%itmax,l_kpts,l_qpts,l_gamma,kpts%nkpt,nmop,jij%nqpt,nmopq)
input%itmax,l_kpts,l_qpts,l_gamma,kpts%nkpt,kpts%nmop,jij%nqpt,nmopq)
atoms%ntypd=atoms%ntype
atoms%nlod = max(atoms%nlod,1)
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment