Dear Siesta users I would really appreciate if someone kindly answer to my question.My optical calculations with Siesta take long time.I simulated a SWCNT+amino acid with 174 atoms and I have 74 nodes in parallel case. In output file after this lines : Optical: Performing optical calculation:
Optical: Polarization type = polarized Optical: Minimum of energy range = 0.0000 Ry Optical: Maximum of energy range = 20.0000 Ry Optical: Gaussian broadening = 0.2000 Ry Optical: Scissor operator = 0.0000 Ry Optical: Number of bands = 1000 Optical: Number of electrons = 640 Optical: BZ mesh dimensions = 1 1 45 Optical: electric field direction Optical: 0.00000 0.00000 1.00000 calculations took long time (6h) and run didn't end.can someone help me to solve this problem? How can I reduce time of calculations? best regards,Mohadeseh
