File: inputC

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 #test silicon linear chain : generate potential and wf at k

 acell   3*10.00                                                              
 densty 1.2
 diemac 12.0d0
 ecut  3.1                                                                   
 intxc 1
 istwfk 1 
 kptopt 0
 kpt  2*0.0 0.03125   
 natom  2 
 nband 4                              
 nkpt  1                                                             
 nstep 4                                                                      
 nsym 1
 ntypat  1                                                            
 prtgeo 10
 prtvol 10
 rprim   1.0 0.0 0.0    0.0 1.0 0.0   0.0 0.0 1.0                             
 timopt -1
 xred 2*0.0 -0.15  2*0.0 0.15   
 tolwfr 1.e-22
 typat 2*1
 wtk 1
 znucl 14.0