CalculationMode = gs
FromScratch = yes

ProfilingMode = prof_time

stdout = "gs_stdout.txt"
stderr = "gs_stderr.txt"

Radius = 3.5*angstrom
Spacing = 0.3*angstrom

CH = 1.097*angstrom
%Coordinates
  "C" |           0 |          0 |           0
  "H" |  CH/sqrt(3) | CH/sqrt(3) |  CH/sqrt(3)
  "H" | -CH/sqrt(3) |-CH/sqrt(3) |  CH/sqrt(3)
  "H" |  CH/sqrt(3) |-CH/sqrt(3) | -CH/sqrt(3)
  "H" | -CH/sqrt(3) | CH/sqrt(3) | -CH/sqrt(3)
%

OutputDuringSCF = yes
OutputInterval = 1
OutputFormat = netcdf + vtk + plane_z + xcrysden
%Output
  density
  current
  wfs
%

Eigensolver = cg
