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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.pz-vbc.UPF
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Pseudopotentials for Al and Si have the same naming convention than
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2008-07-31 16:51:17 +00:00 |
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As.pz-bhs.UPF
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More pseudopotential renaming - note that some PP are actually
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2008-08-01 08:30:34 +00:00 |
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C.lda-paw_kj.UPF
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Added an example of ph.x with PAW.
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2008-12-03 09:22:07 +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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C.tpss-mt.UPF
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Headers updated
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2008-08-22 08:09:38 +00:00 |
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Cu.pbe-paw_kj.UPF
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On popular request: added the possibility to save all-electron and pseudo
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2008-04-16 10:12:11 +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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Ge.pbe-paw_kj.UPF
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On popular request: added the possibility to save all-electron and pseudo
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2008-04-16 10:12:11 +00:00 |
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H.blyp-vbc.UPF
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More pseudopotential renaming - note that some PP are actually
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2008-08-01 08:30:34 +00:00 |
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H.lda-paw_kj.UPF
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Added an example of ph.x with PAW.
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2008-12-03 09:22:07 +00:00 |
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H.pbe-paw_kj.UPF
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On popular request: added the possibility to save all-electron and pseudo
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2008-04-16 10:12:11 +00:00 |
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H.pz-vbc.UPF
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More of the same
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2008-07-31 17:04:47 +00:00 |
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H.tpss-mt.UPF
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Headers updated
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2008-08-22 08:09:38 +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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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-mt.UPF
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More pseudopotential renaming - note that some PP are actually
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2008-08-01 08:30:34 +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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Ni.pz-nd-rrkjus.UPF
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More of the same
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2008-08-01 06:49:09 +00:00 |
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Ni.rel-pbe-nd-rrkjus.UPF
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More PP cleanup
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2008-08-01 13:50:59 +00:00 |
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O.blyp-mt.UPF
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More pseudopotential renaming - note that some PP are actually
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2008-08-01 08:30:34 +00:00 |
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O.lda-paw_kj.UPF
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On popular request: added the possibility to save all-electron and pseudo
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2008-04-16 10:12:11 +00:00 |
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O.pbe-paw_kj.UPF
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On popular request: added the possibility to save all-electron and pseudo
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2008-04-16 10:12:11 +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.pz-van_ak.UPF
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More PP cleanup
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2008-08-01 13:03:35 +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.pz-d-van.UPF
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More PP cleanup
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2008-08-01 13:03:35 +00:00 |
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Pt.rel-pbe-n-rrkjus.UPF
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More PP cleanup
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2008-08-01 17:27:37 +00:00 |
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Pt.rel-pz-n-rrkjus.UPF
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...and this was missing
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2008-08-01 17:28:36 +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.pz-vbc.UPF
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Pseudopotentials for Al and Si have the same naming convention than
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2008-07-31 16:51:17 +00:00 |
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Si.rel-pbe-rrkj.UPF
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More PP cleanup
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2008-08-01 17:27:37 +00:00 |
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Ti.pz-sp-van_ak.UPF
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More PP cleanup
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2008-08-01 13:03:35 +00:00 |
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