Subject: NBO+ECP with GAMESS

From: Haydée Valdés González <[email-masked]>
Date: Mon, 27 May 2002 13:27:21 +0200

Dear users,

I am trying to run some NBO calculations with GAMESS. When using
all-electron-basis sets, things are ok but when using ECPs I got the
following error message

          ENCODING THE EFFECTIVE CORE POTENTIAL FORMULAE
          BASIS FUNCTIONS ARE MAX TYPE  D
          PROJECTION OPERATOR MAX TYPE  S
          1. BASIC ANGULAR INTS.........     0.00 SECONDS
          2. LOCAL OPERATOR INTS........     0.01 SECONDS
          3. PROJECTION OPERATOR INTS...     0.00 SECONDS
          4. SPECIAL ANGULAR INTS.......     0.00 SECONDS
 DAWRIT HAS REQUESTED A RECORD WITH LENGTH DIFFERENT THAN BEFORE - ABORT

FORCED.
 DAF RECORD    92 NEW LENGTH =    0 OLD LENGTH =  434
 EXECUTION OF GAMESS TERMINATED ABNORMALLY AT Fri May 24 04:24:28 2002

Has any of you ever had such a problem?
Thanks in advance,

H. Valdes
[email-masked]