..
test_epr
Test g-tensor calculation: CN molecule (radical).
2006-06-28 12:54:31 +00:00
test_nmr
Test NMR calculations: Si (fcc), Si 8-atoms cubic, SiC (fcc).
2006-06-28 12:53:46 +00:00
Makefile
Objects in PW, PH, CPV are stored into libraries (libpw.a, libph.a,
2006-10-03 19:26:15 +00:00
apply_p.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
apply_vel.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
biot_savart.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
cg_psi.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
cgsolve_all.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
ch_psi_all.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
compute_sigma_bare.f90
Objects in PW, PH, CPV are stored into libraries (libpw.a, libph.a,
2006-10-03 19:26:15 +00:00
compute_u_kq.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
g_tensor_crystal.f90
More cleanup from Axel:
2006-12-02 17:58:50 +00:00
greenfunction.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
h_psiq.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
init_us_2_no_phase.f90
Added spline interpolation of the pseudopotentials. Disabled by default,
2006-09-15 09:06:15 +00:00
j_para.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
magn_main.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
make.depend
make.depend in NMR_new (by D. Ceresoli)
2006-09-22 13:38:25 +00:00
nmr_module.f90
Added possibility of plotting induced currents and induced magnetic
2006-07-11 14:22:22 +00:00
stop_code.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
suscept_crystal.f90
Added possibility of plotting induced currents and induced magnetic
2006-07-11 14:22:22 +00:00
sym_cart_tensor.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
symmetrize_field.f90
Parallelization fixed. Tested on a PC.
2006-06-30 12:49:21 +00:00
test_sum_rule.f90
This is the new version of the magnetic response code. It's been
2006-06-28 12:52:11 +00:00
write_tensor_field.f90
Added possibility of plotting induced currents and induced magnetic
2006-07-11 14:22:22 +00:00