Dear all,<div>        I want  to print the wavefunction each MD step by using the keywords below:</div><div>         </div><div>        &SCF</div>            ......<br />            &PRINT<br />                &RESTART <br />                    BACKUP_COPIES  10000<br />                    &EACH<br />                        MD  1<br />                    &END EACH<br />                &END RESTART<br />           &END PRINT<br />        &END SCF<br /><div>However, I got 33 backupcopies(wfn.bak) and one restart wfn for 9 MD steps and  36 backupcopies for 10 MD steps.  Furthermore, I got 3276 backupcopies of wavefunction for 3273 MD steps. </div><div>My question is why the wavefunction not print each MD step and according to which factor it prints(computing time? MD step?) How can I only get one wavefunction for one MD step?  </div><div>       Thank you!</div><div>        Best regards,</div><div>                                                                                                                    WK Li</div>

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