.. |
Al.vbc.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
As.gon.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
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 |
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 |
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 |
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 |
H.vbc.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
HUSPBE.RRKJ3
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Added the pseudopotential for the NEBexample.
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2004-01-22 15:07:18 +00:00 |
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 |
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 |
Ni.pbe-nd-rrkjus.UPF
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*** empty log message ***
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2003-10-13 14:38:07 +00:00 |
NiUS.RRKJ3.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
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 |
O.LDA.US.RRKJ3.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
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 |
O.recon
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necessary pseudopotential files (and reconstruction wavefunctions)
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2004-08-20 13:53:32 +00:00 |
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 |
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 |
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 |
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 |
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 |
Si.recon
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necessary pseudopotential files (and reconstruction wavefunctions)
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2004-08-20 13:53:32 +00:00 |
Si.vbc.UPF
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Misc. changes to installation files
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2003-01-24 18:28:58 +00:00 |
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 |
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 |