quantum-espresso/TDDFPT/examples/example07/reference/CH4.tddfpt_pp.in

13 lines
261 B
Plaintext

&lr_input
prefix = 'CH4',
outdir = '/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/tempdir/',
itermax0 = 500,
itermax = 10000,
extrapolation = "osc",
epsil = 0.01,
start = 0.00,
end = 3.50,
increment = 0.001,
ipol = 4
/