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giannozz 0c2d41eeec dylmr2.f90 moved to flib/ 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@804 c92efa57-630b-4861-b058-cf58834340f0
 		2004-04-20 14:45:00 +00:00
..
Makefile dylmr2.f90 moved to flib/ 2004-04-20 14:45:00 +00:00
README Updated 2004-02-05 21:13:36 +00:00
a_h.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cg_readin.f90 - Missing object in pwtools/Makefile 2004-03-08 14:00:22 +00:00
cg_setup.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cg_setupdgc.f90 Cleanup: integer conversion to real performed with "dble" everywhere 2004-04-03 13:24:17 +00:00
cg_summary.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-04 10:53:05 +00:00
cgcom.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cgsolve.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
d2ion.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
dgcxc.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
dgcxc_spin.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
dgradcorr.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
dielec.f90 many calls to "setv" replaced by f90 assignements 2003-09-17 21:50:03 +00:00
dmxc.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
drhodv.f90 many calls to "setv" replaced by f90 assignements 2003-09-17 21:50:03 +00:00
dvb_cc.f90 many calls to "setv" replaced by f90 assignements 2003-09-17 21:50:03 +00:00
dvpsi_e.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
dvpsi_kb.f90 fake out-of-bound error fixed 2004-01-26 21:36:41 +00:00
dyndiar.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
dynmat_init.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
dynmatcc.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
find_equiv_sites.f90 Manuale, dynmat.f90, copyright, misc 2003-01-28 12:28:11 +00:00
generate_dynamical_matrix.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
generate_effective_charges.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
h_h.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
macro.f90 many calls to "setv" replaced by f90 assignements 2003-09-17 21:50:03 +00:00
pw_dot.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
raman.f90 Cleanup: all references to varie replaced by references to control_flags 2004-04-02 13:01:15 +00:00
rhod2vkb.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
solve_e.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
solve_ph.f90 A missing IMPLICIT NONE that was causing problems: 2004-01-27 14:59:24 +00:00
writedyn.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
zvscal.f90 Manuale, dynmat.f90, copyright, misc 2003-01-28 12:28:11 +00:00

README 

2004-02-03

This directory contains a Gamma-only, q=0 version of the
phonon code, called phcg.x, using a conjugate-gradient
algorithm for the solution of linear-response equations.
Useful for normal mode calculations in molecules.
Ultrasoft pseudopotentials are not implemented.

The phcg.x code can also calculate nonresonant Raman 
coefficients as finite differences of the dielectric
tensor. This feature is quite experimental and not 
thoroughly tested. Use at your own risk.

Paolo Giannozzi             e-mail:  giannozz@nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy