GAMESS - Parallel - More information about the problem



Hi
 Let me explain the problem better.
 I'm using an already pre-optimized geometry for my problem.
 The first run is a UHF/DFT.
 In the second one, the restart, I use GUESS=MOREAD, and add the $VEC in
 the .inp file, and change the geometry for the last on generated in the
 initial run. The wavefunction that I add in the $VEC is already converged.
 Even adding the MOREAD card , and an previously converged wavefunction in
 the $VEC, the initial step in the restart run is to reoptmize the wave
 function, what is taking all the time I have to continue my optimization.
 My question is, how should I set the control cards in order to restart the
 calculation and the GAMESS do not reoptimize the wavefunction I am giving
 in the $VEC??
 Can I do this??
 I hope this clarify a bit the problem.
 Regards
  ______________________________________________________________________
 |                                                                      |
 |Antonio Luiz Oliveira de Noronha   -   noronha(-(at)-)dedalus.lcc.ufmg.br    |
 |EEPEMM - Eletronic Spectra and Electromagnetic Properties of Molecules|
 |Theoretical Physical Chemistry                                        |
 |Chemistry Departament - DQ                                            |
 |UFMG - Federal University of Minas Gerais - Brazil                    |
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