loto Files

Dear current and future feram users,

I released feram-0.22.03.tar.xz from
http://sourceforge.net/projects/loto/files/feram/ .

"feram" is a fast molecular dynamics (MD) simulator
for bulk and thin-film ferroelectrics. Its homepage is
http://loto.sourceforge.net/feram/ .

In this feram-0.22.03, bugs in kinetic_energy_dipo.F
and velocity_scaling.F are fixed.
Now, you can safely perform simulations with defects.

From the feram-0.22.02, a new exapmle src/28example-PbTiO3-elastocaloric-770K/
is included in the package. See http://arxiv.org/abs/1404.5459 ,
though we will revise this preprint soon.

From the feram-0.22.01, in a leapfrog method with acoustic_mass_amu,
final temperature is reported form an average of dipolar and acoustic
kinetic energies. See subroutine divide_and_write_Average() in
src/average_module.F.

A new feature is available form the feram-0.22.00,
tags of n_E_wave_period and E_wave_type.
n_E_wave_period is the period of alternating external electric field
which have external_E_field amplitude. Set 'triangular_sin' or
'triangular_cos' to E_wave_type. See example files in
src/27example-BaTiO3-new-param-E_wave/ .

Currently, a hysteresis loop calculation of *film* with
acoustic_mass_amu goes wrong. A strange peak appears in the beginning.
See src/23example-BaTiO3-new-param-hl-film-acoustic-mass/.
Bulk calculations go very fine.

Enjoy,
-- Takeshi