Mehrnaz Anvari wrote: > I used new version of pakage (espresso-4.0.5) as you told me & the error > was disappeared. I performed Eyvaz suggestion too, I mean that I used > different grids (for nq1,nq2,nq3) for instance 2 2 2 , 4 4 4, 4 4 > 2,...but the error existed in all of these cases.
First of all, I don't understand why your k-point grid is not 2D (i.e. nkx, nky, 1) if you want to study graphite. >Finally I couldn't > understand main reason of this error. when I open the dyn0 file I see > only kpoints with high symmetry, so it means that the program could > indicate the symmetry of system but in the following it could'nt keep > all of them it is so strange(?) Be carefull that until a recent change in the CVS version the ph.x was overwriting pw.x data in the .save directory, so that if you do successive ph.x calculations without making a copy of that directory it may not work. Now I will try some of your problematic k-points grids and let oyu know if they work with the CVS version. GS > > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
