#Diamond Si in an orthorhombic cell. #Produce the wf to test cut3d. prtwf 1 acell 6 10 14 ecut 5.8 natom 2 nband 4 nsppol 2 spinmagntarget 0.0d0 nstep 10 ntypat 1 rprim 0 .5 .5 .5 0 .5 .5 .5 0 toldfe 1.0d-6 typat 1 1 xred 3*0.00d0 3*0.25d0 znucl 14 kptopt 1 ngkpt 2 2 2 istwfk 1 1 1 1 diemix 0.6 diemac 5 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosTM_pwteter/14si.pspnc" #%% #%% [setup] #%% executable = abinit #%% test_chain = t58.abi, t59.abi #%% [files] #%% files_to_test = t58.abo, tolnlines= 0, tolabs= 0.000e+00, tolrel= 0.000e+00 #%% [paral_info] #%% max_nprocs = 2 #%% [extra_info] #%% keywords = NC #%% authors = JF. Briere #%% description = #%% Diamond Si in an orthorhombic cell, in preparation of cut3d analysis, see test 59. #%%