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quantum-espresso/PWCOND
History
degironc a82b80548a Experimental version with some (incomplete and probably wrong) exact 
exchange stuff.
These features can be obtained by compiling with -DEXX added to DFLAGS
in make.sys
***** DO NOT USE FOR ANY PRODUCTION RUN. *****

Stefano and Antonio


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1883 c92efa57-630b-4861-b058-cf58834340f0
 		2005-05-19 12:25:25 +00:00
..
Makefile Experimental version with some (incomplete and probably wrong) exact 2005-05-19 12:25:25 +00:00
allocate_cond.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
bessj.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cft3sp.f90 Program for complex bands and conductance calculation. 2003-09-24 10:03:55 +00:00
compbs.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
compbs_2.f90 Added a check on info to stop the program if the linear system is not 2005-03-08 09:06:08 +00:00
cond_out.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
condcom.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
condmain.f90 Program for complex bands and conductance calculation. 2003-09-24 10:03:55 +00:00
do_cond.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
eigenchnl.f90 Machine-dependent definitions are now contained in two different files (both in /include): 2004-06-25 17:25:37 +00:00
form_zk.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
four.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
free_mem.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
gep.f Program for complex bands and conductance calculation. 2003-09-24 10:03:55 +00:00
gep_gep.f90 Added copyright notice where missing (please check) 2005-03-21 14:01:19 +00:00
gep_x.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
gramsh.f90 Machine-dependent definitions are now contained in two different files (both in /include): 2004-06-25 17:25:37 +00:00
hev_ab.f90 Machine-dependent definitions are now contained in two different files (both in /include): 2004-06-25 17:25:37 +00:00
init_cond.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
init_gper.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
init_orbitals.f90 more end --> end subroutine [Gerardo] 2005-05-12 15:19:08 +00:00
integrals.f90 pwcond can now deal with spinor wavefunctions and with 2004-11-01 09:26:40 +00:00
jbloch.f90 Added copyright notice where missing (please check) 2005-03-21 14:01:19 +00:00
kbloch.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
local.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
local_set.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
poten.f90 Added copyright notice where missing (please check) 2005-03-21 14:01:19 +00:00
print_clock_pwcond.f90 pwcond can now deal with spinor wavefunctions and with 2004-11-01 09:26:40 +00:00
rotate.f90 Added copyright notice where missing (please check) 2005-03-21 14:01:19 +00:00
rotproc.f90 Added copyright notice where missing (please check) 2005-03-21 14:01:19 +00:00
save_cond.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
scatter_back.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
scatter_forw.f90 Added copyright notice where missing (please check) 2005-03-21 14:01:19 +00:00
summary_band.f90 pwcond can now deal with spinor wavefunctions and with 2004-11-01 09:26:40 +00:00
summary_tran.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
sunitary.f90 Check on the transmission matrix unitarity is added (A.Smogunov) 2005-03-09 17:44:51 +00:00
transmit.f90 Added copyright notice where missing (please check) 2005-03-21 14:01:19 +00:00