Searched defs:EXX_SCF (Results 1 – 1 of 1) sorted by relevance
| /dports/science/atompaw/atompaw-4.1.1.0/src/ |
| H A D | exx_mod.F90 | 56 TYPE(FCInfo) ,TARGET:: FCin
57 TYPE(SCFInfo) ,TARGET:: SCFin
59 TYPE(OrbitInfo) :: tmpOrbit
60 INTEGER :: i,n,io,icount,ok,loop,l,last
61 REAL(8) :: en1,x,tol,err
62 REAL(8), ALLOCATABLE :: arg(:),starg(:)
63 REAL(8) :: errv0=1.d-10,errv,mixHF=0.4d0,mixX=0.2d0
64 LOGICAL :: success,done
65 INTEGER :: nrestart=8,mxloop1=25,mxloop2=50,mxloop=1000
66 INTEGER :: firsttime=0
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