[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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