[CPMD-list] Vanderbilt pseudopotentials

[Veronique Van Speybroeck]

Is there anyone who has any experience with the use of Vanderbilt
pseudopotentials with the CPMD code.  I do have a library of Vanderbilt
pseudopotentials which I used with another AIMD package.
When trying to use these potentials with the CPMD code, the program reads
the pseudopotential right, a correct pseudopotential report is written.
Due to some reason the program stops somewhat further after reporting the
atomic coordinates.

The last output I get is (for a simple example of one C atom)

 ****************************************************************
 *                      ATOMIC COORDINATES                      *
 ****************************************************************
       1       C           0.000000       0.000000       0.000000
 ****************************************************************

 CPU TIME FOR WAVEFUNCTION INITIALIZATION:           0.41 SECONDS
 ***    RWFOPT| THE NEW SIZE OF THE PROGRAM IS 10716 KBytes ***
 EWALD SUM IN REAL SPACE OVER  1* 1* 1 CELLS
 ** On entry to DSYRK  parameter number 10 had an illegal value
FORTRAN STOP

The program works well when using other pseudopotentials, like Martin
Trouiller, ...

Is there anyone who knows how to resolve this problem?

thanks in advance

veronique

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Dr. ir. Van Speybroeck Veronique
Laboratorium voor Theoretische Fysica
Universiteit Gent
Proeftuinstraat 86
9000 Gent
Tel +32-9-264.65.58  GSM : +32/474/259767
Fax +32-9-264.65.60
email : veronique.vanspeybroeck at rug.ac.be
http://inwfaxp2.rug.ac.be/~web/onderzoek/proj_3.html
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