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quantum-espresso/PWCOND
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giannozz 4a5732790a Part of the variables for ultrasoft pseudopotentials have been moved to a 
new module uspp_param, shared between PW and CP (in file Modules/uspp.f90)
The flag newpseudo is no longer used to decide whether states with oc=0 are
bound or not: for those states, and only for the old RRKJ format, oc is set
to a negative value, and this signals that they are not bound. Not elegant
but simpler than it used to be. The converter to UPF format did not include
those states anyway. Beware unexpected side effects!


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@914 c92efa57-630b-4861-b058-cf58834340f0
 		2004-05-26 11:04:07 +00:00
..
Makefile Part of the variables for ultrasoft pseudopotentials have been moved to a 2004-05-26 11:04:07 +00:00
allocate_cond.f90 Part of the variables for ultrasoft pseudopotentials have been moved to a 2004-05-26 11:04:07 +00:00
allocate_cond_2.f90 Check on undefined variables, out-of-bound arrays 2004-01-06 10:53:30 +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 Program for complex bands and conductance calculation. 2003-09-24 10:03:55 +00:00
compbs_2.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
condcom.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
condmain.f90 Program for complex bands and conductance calculation. 2003-09-24 10:03:55 +00:00
do_cond.f90 Again ionode_id correction. 2004-01-28 09:41:10 +00:00
eigenchnl.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
form_zk.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
four.f90 Part of the variables for ultrasoft pseudopotentials have been moved to a 2004-05-26 11:04:07 +00:00
free_mem.f90 Check on undefined variables, out-of-bound arrays 2004-01-06 10:53:30 +00:00
gep.f Program for complex bands and conductance calculation. 2003-09-24 10:03:55 +00:00
gep_gep.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
gep_x.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
gramsh.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
hev_ab.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
init_cond.f90 Part of the variables for ultrasoft pseudopotentials have been moved to a 2004-05-26 11:04:07 +00:00
init_gper.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-04 11:30:32 +00:00
integrals.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
jbloch.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
kbloch.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
local.f90 Problems in parallel version of PWNC and PWCOND fixed. 2004-03-15 15:25:20 +00:00
local_set.f90 Program for complex bands and conductance calculation. 2003-09-24 10:03:55 +00:00
poten.f90 Program for complex bands and conductance calculation. 2003-09-24 10:03:55 +00:00
rotate.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
rotproc.f90 Problems in parallel version of PWNC and PWCOND fixed. 2004-03-15 15:25:20 +00:00
scatter_back.f90 Program for complex bands and conductance calculation. 2003-09-24 10:03:55 +00:00
scatter_forw.f90 Program for complex bands and conductance calculation. 2003-09-24 10:03:55 +00:00
slabcpu.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
summary_band.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
summary_tran.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
transmit.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-04 11:30:32 +00:00