[Pw_forum] Regarding criteria for choosing values

sharma.krishnaswaroop at gmail.com sharma.krishnaswaroop at gmail.com
Mon Jun 3 05:35:46 CEST 2013

While writing plotband.in for Si as in example 05 how to select range -6.0 10, Fermi energy 6.255 and what does 1.0 6.255 in the next line indicate?
Similarly inplotrho.in how to choose 0 0.09 6?
How to decide ecutwfc- 18.0?, conv_thr: 1.0d-8, mixing-beta:0.7
Criteria to manully write k-points and where to find k values for different lattice types or space groups?
These are some basic querries so as to be able to write a new case. I shall be obliged if any body can help by giving relevant details or references. Thanks.
K. S. Sharma
The IIS University Jaipur
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