[Pw_forum] QE installation probelm in linux PC (Red hat EL)

On Jul 14, 2011, at 12:38 , Raji wrote: > iotk_scan.spp:452: internal compiler error > as explained in the user guide, this invariably means that the compiler is buggy. If lowering the optimization level (-O0) doesn't work, you need a different compiler P --- Paolo Giannozzi, Dept of Chemistry&Ph

[Pw_forum] Confusion in choosing rlderiv

On Jul 13, 2011, at 8:18 , karan deep wrote: > rlderiv( rd) should be of the order of the ionic or covalent radius, > and larger than any of the rc ?s (cut of radius for each pseudo > wave function) it is not a strict rule, as long as rd is not much smaller than rc > > also according to some

[Pw_forum] QE installation probelm in linux PC (Red hat EL)

out this. Raji. *** M. Rajarajeswari Research Scholar Madurai Kamaraj University Madurai - 625 021 Tamil Nadu India. -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110714/446abdd7/attachment.htm

[Pw_forum] Pressure-induced phase transition

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[Pw_forum] Using the outdir from vc-relax

Not sure; it should be the 4.2 one, but I suppose that the best thing is to try with the most recent stable 4.3.1 version... G. On Wednesday 13 July 2011 19:21:52 Izaak Williamson wrote: > Thank you for your response. > > The version I was using was espresso-4.1.3. On which version did they star

[Pw_forum] QE installation probelm in linux PC (Red hat EL)

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[Pw_forum] phonon_dos.x not created........

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[Pw_forum] assistance with QHA

ment directive. Line is ignored. >" >and so on... > >Any ideas? > >Thanks a lot, >Guntram >___ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110714/0834b8b9/attachment-0001.htm

[Pw_forum] from matdyn : error # 49

i-loadleveler - which shouldn't affect this >errors, imho. > >Any ideas on this? >Thanks, >Guntram >___ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110714/5d93517e/attachment.htm

[Pw_forum] projected wavefunction

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[Pw_forum] how to extract data from phonon calculation to plot phonon frequency dispersion curve

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[Pw_forum] Back to the forum

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[Pw_forum] how to extract data from phonon calculation to plot phonon frequency dispersion curve

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