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[Paul Fons <paul-fons@aist.go.jp>]

  I have been working through N. A. W. Holzwarth's AtomPAW generator  
example ( http://www.abinit.org/PAW/AtomPAW2Abinit-Manual-html/ 
HolzwarthPAW.htm) for Fe to see if I understand things correctly.  I  
used the latest version of atompaw2abint (from http://www.wfu.edu/ 
~natalie/papers/pwpaw/071206atompaw.tar.gz).   I also used the  
atompaw in the directory loggridatompaw to compile atompaw.

Using the (O) input in the example shown on the abinit webpage  
(http://www.abinit.org/PAW/AtomPAW2Abinit-Manual-html/ 
HolzwarthPAW.htm) I get an error that states that the exchange and  
correlation functional does not exist.  As this is the example, I am  
a little confused about how to proceed from here.  Any suggestions?



[tachyon:loggridatompaw/test/O] paulfons% atompaw <O.input >/dev/null

  the code runs normally with the last few lines


 	SCFPAW converged in  29  iterations -- delta =    
4.721069499117223E-009

          PAW results for new configuration
            1    2    0  1.0000000E+00 -1.7760237E+00
            2    2    1  5.0000000E+00 -7.0573093E-01
        evale from matrix elements -3.90730450081254100E+01
        Enter 0 to end program
        Enter 1 to run SCFPAW

Here I run atom2paw2  (built from the abinit website version).

[tachyon:loggridatompaw/test/O] paulfons% atompaw2abinit
========================================================
==   atompaw2abinit - v1.5.3:                         ==
==   Converts a PAW pseudopotential file generated    ==
==   by "atompaw" code (from N. Holzwarth)            ==
==   into a PAW atomic data file readable             ==
==   by Abinit (v4.6.1+)                              ==
==                                                    ==
==   "atompaw" can be found at:  http://pwpaw.wfu.edu ==
========================================================

Input atomicdata file name (from atompaw) [atomicdata] ? O
Input densities file name (from atompaw) [density] ?
Input potentials file name (from atompaw) [potential] ?
Output psp file name (for Abinit) [abinit.pawps] ?

Do you want to transfer atomic data from AtomPAW
on a (reduced) logarithmic grid    (recommended) [y] ?
Logarithmic grid: Number of pts, logarithmic step [350, 0.035] ?

Do you want to improve non-local projector
by using "Real Space Optimization" (King-Smith et al.) [y] ?
Real Space optim.: Ecut, Gamma/Gmax, Wl(error) [20.0, 2.0, .1E-02] ?

Big Pb: exchange and correlation
         fonctionnal does not exist !

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