Dear Hakkim your problem in LatticeConstant or %block LatticeVectors. please sure that your AtomicCoordinatesFormat is right (fractional or Ang,...)
best regards homa ________________________________ From: Hakkim Vovusha <[email protected]> To: [email protected] Sent: Wednesday, November 14, 2012 6:06 PM Subject: [SIESTA-L] Siesta: System type = molecule HI, I am doing force minimization calculation (periodic system) in siesta and I have found in the output Siesta: System type = molecule but i need to change the molecule into bulk i.e. Siesta: System type = bulk. Can any one help how to change these molecule into bulk. with regards hakkim
