Author Topic: How to reduce the resources to calculate the dynamical matrix  (Read 670 times)

0 Members and 1 Guest are viewing this topic.

Offline ml1019

  • Regular QuantumATK user
  • **
  • Posts: 9
  • Country: gb
  • Reputation: 0
    • View Profile
Dear All,

 I tried to get the inelastic spectrum of a molecule junction but I found the resources it required are really demanding. Could you give me some suggestions to reduce the resources?
Currently I am using 128 cores with 920 gb memory.
Thank you for your help.

Please find attached the input.

Best regards