Dear experts/users,
I was trying to check the convergence for an orthorohmbic system and got ecut convergence for 70. Later, I choose a smaller ecut of 40 for testing kmesh convergence to reduce the computation time. But, I observed a opposite pattern of convergence graph which is attached below. Please suggest me what could be the possible reason! ( I choose the key 'K_POINTS (automatic)' as ' $CUTOFF $CUTOFF $CUTOFF 1 1 1', where CUTOFF value varies from 3 to 7.) Any kind suggestions will be helpful for me. Thank you With regards Anupriya Nyayban
Kmesh.eps
Description: PostScript document
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
