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