[Pw_forum] energy cutoff for oxides

mayank gupta mayankaditya at gmail.com
Mon Sep 27 09:33:04 CEST 2010


Dear all pwscf users

I have some problem regarding ecutoff in scf run. I did a series of
calculation for oxides like lithium oxide silver oxide and copper
oxide. To get the energy convergence of the order of meV, the ecuttoff
parameters is beyond 100Ry in all the above cases even with upps. Is
it ok?


Mayank kumar gupta
Contact No- 9869834437
                  8097400037
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