[Pw_forum] ph.x, q2r.x and low symmetries

2012-01-13 Thread W2AGZ
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[Pw_forum] Ewald and Coulomb

2012-01-13 Thread jiayudai
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[Pw_forum] scaling of turbo_lanczos.x

2012-01-13 Thread Simon Binnie
Hello Eduardo, The relevant Equation is Eq. 33 and the definition of \alpha_{ij}(\omega) at the start of Section 2. 'ipol' refers to the axis long which the perturbing electric field is polarized for the calculation. If only one direction is considered (1 =< ipol =< 3) then only the appropriate di

[Pw_forum] scaling of turbo_lanczos.x

2012-01-13 Thread Paolo Giannozzi
On Tue, 2012-01-10 at 12:50 +0100, Eduardo Ariel Menendez Proupin wrote: > Is there any advice to use efficiently multiple CPU systems > that may differ from the advices to use pw.x ? > Are task groups implemented (-ntg or similar) ? I don't think they are P. -- Paolo Giannozzi, IOM-Democrito

[Pw_forum] Ewald and Coulomb

2012-01-13 Thread Yunpeng Wang
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[Pw_forum] Which subroutine is related to the atomic displacement in DFPT

2012-01-13 Thread GAO Zhe
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