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Al.pbe-rrkj.UPF
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Added PP for AL used by example ofwork function calculation.
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2007-07-16 15:20:40 +00:00 |
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Al.vbc.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
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As.gon.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
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C.meta.tm.UPF
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Example for meta-gga (contributed by Xiaofei Wang).
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2005-07-14 21:58:33 +00:00 |
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C.pz-rrkjus.UPF
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Added the pseudopotential of Carbon for example2.
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2004-06-14 16:30:58 +00:00 |
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C.pz-vbc.UPF
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Calculation of finite (imaginary) frequency polarizability added.
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2006-03-30 09:43:38 +00:00 |
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Cu.pz-d-rrkjus.UPF
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- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
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Fe.pz-nd-rrkjus.UPF
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bfgs modified to work with arbitrary components of the atomic positions
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2003-10-16 16:30:12 +00:00 |
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H.fpmd.UPF
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- many small changes ( comments and standartd output layout )
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2003-01-26 22:39:33 +00:00 |
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H.vbc.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
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HUSPBE.RRKJ3
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Added the pseudopotential for the NEBexample.
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2004-01-22 15:07:18 +00:00 |
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H_US.van
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- further merging of low level subroutine between FPMD and CP
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2004-07-19 17:19:16 +00:00 |
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H_coul.UPF
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tests updated
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2007-11-01 15:03:11 +00:00 |
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Hmeta.tm.UPF
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Example for meta-gga (contributed by Xiaofei Wang).
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2005-07-14 21:58:33 +00:00 |
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Mg.pz-n-vbc.UPF
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Added pseudo potentials for example of electric field
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2005-10-24 15:04:12 +00:00 |
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N.BLYP.UPF
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- many small changes ( comments and standartd output layout )
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2003-01-26 22:39:33 +00:00 |
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Ni.pbe-nd-rrkjus.UPF
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*** empty log message ***
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2003-10-13 14:38:07 +00:00 |
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NiUS.RRKJ3.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
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NirelPBE.RRKJ3.UPF
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Added an example of phonon calculation with noncollinear/spin-orbit GGA.
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2007-09-03 08:09:19 +00:00 |
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NisrPBE.RRKJ3.UPF
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Added an example of phonon calculation with noncollinear/spin-orbit GGA.
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2007-09-03 08:09:19 +00:00 |
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O.BLYP.UPF
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- many small changes ( comments and standartd output layout )
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2003-01-26 22:39:33 +00:00 |
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O.pbe-rrkjus.UPF
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Added an example of the use of occupation='from_input'.
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2003-08-21 14:31:59 +00:00 |
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O.pz-rrkjus.UPF
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Added pseudo potentials for example of electric field
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2005-10-24 15:04:12 +00:00 |
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O.recon
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necessary pseudopotential files (and reconstruction wavefunctions)
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2004-08-20 13:53:32 +00:00 |
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O.vdb.UPF
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Added PP for Berry phase test, removed Ga
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2003-06-13 13:14:03 +00:00 |
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OPBE_nc.UPF
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necessary pseudopotential files (and reconstruction wavefunctions)
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2004-08-20 13:53:32 +00:00 |
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O_US.van
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- further merging of low level subroutine between FPMD and CP
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2004-07-19 17:19:16 +00:00 |
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Pb.vdb.UPF
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Added PP for Berry phase test, removed Ga
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2003-06-13 13:14:03 +00:00 |
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Ptrel.RRKJ3.UPF
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The same pseudo generated in gen-pseudo is used in the example22.
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2004-11-01 09:43:32 +00:00 |
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PtrelPBE.RRKJ3.UPF
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Added an example of phonon calculation with noncollinear/spin-orbit GGA.
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2007-09-03 08:09:19 +00:00 |
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Si.bhs
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Automated tests updated
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2007-10-29 10:13:29 +00:00 |
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Si.pbe-rrkj.UPF
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I added this pseudo for the example of a Silicon dimer,
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2005-10-22 21:33:01 +00:00 |
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Si.recon
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necessary pseudopotential files (and reconstruction wavefunctions)
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2004-08-20 13:53:32 +00:00 |
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Si.vbc.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
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SiPBE_nc.UPF
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necessary pseudopotential files (and reconstruction wavefunctions)
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2004-08-20 13:53:32 +00:00 |
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SirelPBE.RRKJ3.UPF
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Missing pseudopotential for example35.
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2007-10-09 07:12:07 +00:00 |
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Ti.vdb.UPF
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Added PP for Berry phase test, removed Ga
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2003-06-13 13:14:03 +00:00 |
a09a87f88d