restart BAND calculation

jacopos sgr... at gmail.com
Mon Dec 24 12:20:04 CET 2012


Dear All
How can I write a proper restart and the relaxed structure files for BAND 
calculations?
I have used the syntax  reported below, is it correct?
Thanks a lot

Jacopo

&MOTION
   &PRINT
    &TRAJECTORY  SILENT
      &EACH
        BAND 1
      &END EACH
      FILENAME =md1.dcd
      FORMAT  DCD
    &END TRAJECTORY
    &VELOCITIES  OFF
    &END VELOCITIES
    &FORCES  OFF
    &END FORCES
    &RESTART
      &EACH
        BAND 1
      &END EACH
      FILENAME =neb.restart
    &END RESTART
  &END PRINT
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