# He atom in LDA
iprcel 45
ndtset 5

#DATASET 1
 shiftk1  0.5 0.5 0.5
   iscf1  3 
 prtden1  1

#DATASET 2
 getden2  1
 getwfk2  1
 shiftk2  0.0 0.0 0.0
   iscf2  -3
 prtdos2  2

#DATASET 3
 getden3  1
 getwfk3  1
 shiftk3  0.0 0.0 0.0
   iscf3  -3
 prtdos3  3
natsph3 1
 iatsph3  1
 ratsph3  2.7

#DATASET 4
 getden4  1
 getwfk4  1
 shiftk4  0.0 0.0 0.0
   iscf4  -3
 prtdos4  3
natsph4 1
 iatsph4  5
 ratsph4 3.22

#Dataset 5
 getden5  1
 getwfk5  1
 shiftk5  0.0 0.0 0.0
   iscf5  -3
 prtdos5  3
natsph5 1
 iatsph5  8
 ratsph5  3.352
#Common input variables
acell   8.3806335328E+00  8.3864650876E+00  8.3871745047E+00

diemac 1.0d0
diemix 0.5d0

ecut 50

kptopt 1
ngkpt 8 8 8
nshiftk 1

natom 8
nband 40
 
nstep 1000
ntypat 3
occopt 1
occ 2.0
tolwfr 1.0d-14
typat 1 1 1 1 2 2 2 3
znucl 26 14 32 
 xred    3.6408771409E-01  3.6404046023E-01  3.6451855702E-01
             -3.6555300412E-01  8.6436990993E-01  1.3537754712E-01
              1.3418392930E-01 -3.6504374976E-01  8.6432531133E-01
              8.6102368139E-01  1.3765348805E-01 -3.6234608550E-01
             -3.4224263224E-01 -3.4177634239E-01 -3.3785076663E-01
              3.4019983262E-01  1.6145895600E-01  8.4112142225E-01
              8.3729388036E-01  3.4066471056E-01  1.5801458719E-01
              1.5738710684E-01  8.4109949423E-01  3.4155524711E-01