:orphan: LUCITA:Sample inputs ==================== Perform SDCI calculations: :: *LUCITA .INIWFC DHFSCF .CITYPE SDCI .MULTIP 3 *END OF Perform GASCI calculations: :: *LUCITA .TITLE Aluminum atom in C2h symmetry, 7s5p2d (L) basis, SDT/SD CI (1s inactive). .INIWFC OSHSCF .CITYPE GASCI .MULTIP 2 .NACTEL 13 .GASSHE 5 1,0,0,0 ! 1s 2,0,0,0 ! 2s3s 0,0,2,4 ! 2p3p 5,2,1,2 ! 4s5s 4p 3d 5,2,2,4 ! 6s7s 5p6p 4d .GASSPC 1 2 2 3 6 11 13 11 13 13 13 *END OF In addition, for we provide three LUCITA input templates with increasing complexity (lucita.novice,lucita.expert,lucita.wizard) .. - :download:`novice ` .. - :download:`expert ` .. - :download:`wizard ` The user can download and modify them according to his needs.