*Cl on Al(100) [#od195485] - Input file (nfinp_1) 1 0 0 0 0 0 4.00 10.00 2 7 7 : GMAX GMAXP NTYP NATM NATM2 1 0 : NUMBER OF SPACE GROUP TYPE OF BRAVIS LATTICE CARTESIAN 7.6534000000 0.0000000000 00.0000000000 0.0000000000 7.6534000000 00.0000000000 00.0000000000 00.0000000000 30.6136000000 4 4 1 2 2 1 : KNX KNY KNZ K-POINT SHIFT 1 0 : NCORD NINV 0.0000000000 3.8267000000 4.0000000000 1 1 2 0.0000000000 3.8267000000 0.0000000000 1 1 1 3.8267000000 0.0000000000 0.0000000000 1 1 1 0.0000000000 0.0000000000 -3.8267000000 1 0 1 3.8267000000 3.8267000000 -3.8267000000 1 0 1 0.0000000000 3.8267000000 -7.6534000000 1 0 1 3.8267000000 0.0000000000 -7.6534000000 1 0 1 13 0.15 26.9815 3 1 0.00 : IATOMN ALFA AMION ILOC IVAN ZETA 17 0.15 35.4527 3 1 0.00 : IATOMN ALFA AMION ILOC IVAN ZETA 0 0 0 0 0 : ICOND INIPOS INIVEL ININOS INIACC 0 1 : IPRE IPRI 100 200 0 57200.00 0 : NMD1 NMD2 ITER_LAST CPUMAX IFSTOP 3 1 : WAY_MIX MIX_WHAT 0 20 0.8 : STARTING_MIXING KBXMIX ALPHA 0.60 0.50 0.60 0.70 1.00 : DTIM1 DTIM2 DTIM3 DTIM4 DTIM_LAST 600.00 4 1 0.10D-08 : DTIO IMDALG IEXPL EDELTA -0.002 0.10D-02 0 : WIDTH FORCCR ISTRESS ggapbe 1 : XCTYPE NSPIN 1.00 : DESTM N_STM 101 : NBZTYP 0 0 0 : NKX NKY NKZ (DUMMY) 0 0 0 : NKX2 NKY2 NKZ2 (DUMMY) 16 : NEG 1 : NEXTST(MB) 0 : DUMMY 2 : IMSD 0 : EVALUATE_EKO_DIFF 0 : NPDOSAO 0 0.00