[Pw_forum] xspectra - forrtl: severe (43)

Matteo Calandra matteo.calandra at impmc.jussieu.fr
Tue Oct 23 23:08:34 CEST 2012

Le 23/10/12 10:48, pw_forum-request at pwscf.org a écrit :
> Dear QE Users,
> I started to work with ?xspectra.x? sub-program. After compilation of
> ?xspectra? subroutine, I tested accuracy of the program by testing
> ?Diamond and NiO? examples (with and without core-hole effect). I didn?t
> have any errors/problems with the examples. Next, I did a test for CdO
> (unit cell; without CH effect) which worked properly, with no
> errors.
> As a next step, I prepared test-?run? file for CdO supercell. After ?scf?
> cycle the next error appeared:

Dear Iraida,

   the code tries to read a file that is not there. Do all of your 
pseudos has gipaw reconstruction ?


* * * *
Matteo Calandra, Directeur de Recherche (DR2)
Institut de Minéralogie et de Physique des Milieux Condensés de Paris
Université Pierre et Marie Curie, tour 23, 3eme etage, case 115
4 Place Jussieu, 75252 Paris Cedex 05 France
Tel: +33-1-44 27 52 16       Fax: +33-1-44 27 37 85

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