Dear all, I try to calculate Raman frequencies for a 64-atom slab with ph.x in QE v.6.4.1. I had to interrupt the calculation at certain representation, then I calculated the rest using start_irr/last_irr. At the end the fildyn file is empty, so I can't use dynmat.x. Can I create a dynamical matrix from the existing xml files in phsave directory without performing all the calculations once again?
Regards, Evgeny
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
