[Pw_forum] variable-cell optimizations

Nichols A. Romero naromero at gmail.com
Tue Jan 3 23:35:05 CET 2006


Hi,

How does PWSCF handle the number of planewaves during a variable-cell
optimizations? Are the planewaves or energy cutoff kept constant?

Does it use the method of Bernasconi et. al Phys. Chem. Solids, 56 501 (1995)?

Thanks,
--
Dr. Nichols A. Romero, PhD.
1613 Denise Dr. Apt. D
Forest Hill, MD 21050
443-567-8328 (C)
410-306-0709 (O)



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