[Pw_forum] variable-cell optimizations
Sergey Lisenkov
proffess at yandex.ru
Wed Jan 4 17:32:47 CET 2006
Dear Paolo,
>On Tuesday 03 January 2006 23:35, Nichols A. Romero wrote:
>
>> How does PWSCF handle the number of planewaves during a variable-cell
>> optimizations? Are the planewaves or energy cutoff kept constant?
>
>the energy cutoff is kept constant
So, does it mean that it is not neccesary to increase energy cutoff (like at VASP, ABINIT - they use constant plane wave basis in varible cell calculations) during vc-relax to get correct stress tensor?
Sergey
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