[Pw_forum] No compatible Gipaw and Quantum Espresso available

Hi all, I am intend to start NMR properties with Gipaw package. Currently the only qe-gipaw version which one can download from qe-forge is 4.3.1 and I have not succeed in compiling it with Quantum Epresso version 4.3.2 (which is the oldest QE in qe-forge). So, could you help me to get started

[Pw_forum] No compatible Gipaw and Quantum Espresso available

On Sep 13, 2012, at 7:14 , Jarkko V?h?kangas wrote: > Currently the only qe-gipaw version which one can download > from qe-forge is 4.3.1 and I have not succeed in compiling it > with Quantum Epresso version 4.3.2 (which is the oldest QE > in qe-forge). it isn't P. --- Paolo Giannozzi, Dept of

[Pw_forum] No compatible Gipaw and Quantum Espresso available

Hi again, so, I must make myself more clear: I do not have QE version which is supported with qe-gipaw 4.3.1. How can I get that kind of? Is it possible to put it to qe-forge? thanks, Jarkko > >> Currently the only qe-gipaw version which one can download >> from qe-forge is 4.3.1 and I have

[Pw_forum] No compatible Gipaw and Quantum Espresso available

On Thu, 2012-09-13 at 09:36 +0300, Jarkko V?h?kangas wrote: > I do not have QE version which is supported with qe-gipaw 4.3.1. I don't know which one, but it should be QE 4.3.1 > How can I get that kind of? > Is it possible to put it to qe-forge? it is already there: http://qe-forge.org/gf/d

[Pw_forum] pb_small error

Note that EPW works only in conjunction with an old QE version P. On Wed, 2012-09-12 at 21:29 -0500, amei2 at illinois.edu wrote: > Kind Developers, > > > I compiled EPW without problems, however when I try the pb_small > example, I get the following error when running epw.x before the > "Impos

[Pw_forum] upf_v1_format option no more available in 5.0.1 '

On Wed, 2012-09-12 at 15:46 +0200, Lat?vi Max LAWSON DAKU wrote: > the virtual.x program being able to only deal with v.1 UPF. anybody volunteering to extend upftools/virtual.f90 to UPF v.2? P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

[Pw_forum] The cell blowing up in MD simulation

On Wed, 2012-09-12 at 15:33 -0700, Tian Lan wrote: > I expected a good structure from scf calculation should more or less > agree with the MD run. it does. First of all, you should verify that you can get the same energy (within numerical noise, and not forgetting the Ha to Ry conversion) with

[Pw_forum] wrong total_weight error with matdyn

On Wed, 2012-09-12 at 15:33 +0200, Thomas Gruber wrote: > I found it somehow strange to "exclude" the weight test you shouldn't exclude the test: if the weight is not correct, the results will also be not correct. Apparently the algorithm doesn't work well when you have force constants only in t

[Pw_forum] gamma phonon calculation error using phcg.x

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[Pw_forum] gamma phonon calculation error using phcg.x

On Thu, 2012-09-13 at 20:24 +0530, Bramha Pandey wrote: > from cg_readin : error # 1 > double grid not implemented > ecutwfc =95, > ecutrho = 550 4*95 = 380 < 550. You are uyusing a grid for charge density that is different from the one for Koh

[Pw_forum] gamma phonon calculation error using phcg.x

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[Pw_forum] The cell blowing up in MD simulation

tinfo/pw_forum > -- Lan, Tian Ph.D. Candidate, Department of Applied Physics and Materials Science California Institute of Technology, Caltech M/C 138-78, Pasadena, CA, 91125 -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120913/6189f3fe/attachment.htm