mirror of https://gitlab.com/QEF/q-e.git
22 lines
442 B
Plaintext
22 lines
442 B
Plaintext
&lr_input
|
|
prefix = 'CH4',
|
|
outdir = '/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/tempdir/',
|
|
restart = .false.
|
|
/
|
|
&lr_dav
|
|
d0psi_rs = .true.
|
|
num_eign = 10,
|
|
num_init = 20,
|
|
num_basis_max = 80,
|
|
residue_conv_thr = 1.0D-4,
|
|
start = 0.0,
|
|
finish = 1.5,
|
|
step = 2.0D-4,
|
|
broadening = 0.005,
|
|
reference = 0.5,
|
|
p_nbnd_occ = 4,
|
|
p_nbnd_virt = 15,
|
|
poor_of_ram = .false.
|
|
poor_of_ram2 = .false.
|
|
/
|