1
2CONTROL{
3  PARAMPATH= "tests/dorbitals.params"
4  XCONTROL= 1
5  BASISTYPE= NONORTHO
6  DEBUGON= 0
7  FERMIM= 6
8  CGORLIB= 1 CGTOL= 1.0e-6
9  KBT= 0.2
10  NORECS= 1
11  ENTROPYKIND= 1
12  PPOTON= 1 VDWON= 0
13  SPINON= 0 SPINTOL= 1.0e-4
14  ELECTRO= 1 ELECMETH= 0 ELEC_ETOL= 0.001 ELEC_QTOL= 1.0e-4
15  COULACC= 1.0e-6 COULCUT= -500.0 COULR1= 500.0
16  MAXSCF= 500
17  BREAKTOL= 1.0E-12 MINSP2ITER= 22 SP2CONV= REL
18  FULLQCONV= 0 QITER= 0
19  QMIX= 0.25 SPINMIX= 0.25 MDMIX= 0.25
20  ORDERNMOL= 0
21  SPARSEON= 0 THRESHOLDON= 1 NUMTHRESH= 1.0e-6 FILLINSTOP= 100 BLKSZ= 4
22  MSPARSE= 3000
23  LCNON= 0 LCNITER= 4 CHTOL= 0.01
24  SKIN= 1.0
25  RELAX= 1 RELAXTYPE= SD MAXITER= 100 RLXFTOL= 0.00001
26  MDON= 0
27  PBCON= 0
28  RESTART= 0
29  CHARGE= 0
30  XBO= 1
31  XBODISON= 1
32  XBODISORDER= 5
33  NGPU= 2
34  KON= 0
35  COMPFORCE= 1
36  DOSFIT= 0 INTS2FIT= 1 BETA= 1000.0 NFITSTEP= 5000 QFIT= 0 MCSIGMA= 0.2
37  PPFITON=  0
38  ALLFITON= 0
39  PPSTEP= 500 BISTEP= 500 PP2FIT= 2 BINT2FIT= 6
40  PPBETA= 1000.0 PPSIGMA= 0.01 PPNMOL= 10 PPNGEOM= 200
41  PARREP= 0
42  ER= 1.0
43}
44