Please see this: https://gitlab.com/QEF/q-e/issues/18 (and note the new address of the mailing list: I don't know why the previous message went through, [email protected] was supposed to be closed)+
Paolo On Wed, Feb 28, 2018 at 6:03 PM, Michele Re Fiorentin < [email protected]> wrote: > Dear all, > > I'm trying to run a NEB calculation with a graphene 8x8 supercell, at the > Gamma point, using QE 6.2. > When the NEB is run with > > K_POINTS gamma > > or with > > K_POINTS automatic > 1 1 1 0 0 0 > > I get this davcio error (and others similar when run in parallel) after > the first iteration: > > Error in routine davcio (10): > error while reading from file "/marconi_scratch/ > userexternal/mrefiore/test/neb8x8/neb8x8_8/neb8x8.wfc16". > > I'll attach to this email my input file. > Thank you all in advance for your help and attention. > Best regards, > > > Michele Re Fiorentin > > > > -- > Michele Re Fiorentin, PhD > > Istituto Italiano di Tecnologia (IIT) > Center for Sustainable Future Technologies @ PoliTO > Corso Trento, 21 > 10129 Torino (Italy) > Tel.: +39 011/5091904 <+39%20011%20509%201904> > email: [email protected] > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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