[Pw_forum] El-Ph funny error

Paolo Giannozzi giannozz at nest.sns.it
Mon Oct 3 10:25:17 CEST 2005


On Thursday 29 September 2005 18:20, Miguel Martínez Canales wrote:

>from phq_init : error #         1 
>wrong order of k points

        IF ( ABS( xq(1) - ( xk(1,ikq) - xk(1,ikk) ) ) > eps8 .OR. &
             ABS( xq(2) - ( xk(2,ikq) - xk(2,ikk) ) ) > eps8 .OR. &
             ABS( xq(3) - ( xk(3,ikq) - xk(3,ikk) ) ) > eps8 ) THEN
           WRITE( stdout, * ) ikk, ikq, nksq
           WRITE( stdout, * ) ( xq(ipol),     ipol = 1, 3)
           WRITE( stdout, * ) ( xk(ipol,ikq), ipol = 1, 3)
           WRITE( stdout, * ) ( xk(ipol,ikk), ipol = 1, 3)
           CALL errore( 'phq_init', 'wrong order of k points', 1 )
        END IF

what does it print immediately before that?

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy



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