Hi, I am not able to converge phonon calculation for monolayer CrX3. Can anyone suggest what may be the reason. The input is given below:
BEGIN phonons of ml &inputph tr2_ph=1.0d-14, ldisp=.true., nq1=7, nq2=7, nq3=7, amass(1)=51.996, amass(2)=79.904, prefix='ml', outdir='/global/home/sushantk/mayuri/monolayer/' fildyn='ml.dyn', / END Mayuri Bora INSPIRE Fellow Advanced Functional Material Laboratory Tezpur University Napaam http://www.tezu.ernet.in/afml/ * * * D I S C L A I M E R * * * This e-mail may contain privileged information and is intended solely for the individual named. If you are not the named addressee you should not disseminate, distribute or copy this e-mail. Please notify the sender immediately by e-mail if you have received this e-mail in error and destroy it from your system. Though considerable effort has been made to deliver error free e-mail messages but it can not be guaranteed to be secure or error-free as information could be intercepted, corrupted, lost, destroyed, delayed, or may contain viruses. The recipient must verify the integrity of this e-mail message. _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
