Dear Dr Paolo, Thanks a lot for the code. I've added the lines to the file. The calculations are ongoing and I shall let you know the outcome.
I'm grateful, Isaiah On Fri, Nov 24, 2017 at 9:35 PM, Paolo Giannozzi <[email protected]> wrote: > After line 205 of PHonon/PH/elphon.f90, add these 6 lines; then recompile. > > IF ( ibrav_ == 0 ) THEN > READ (iudyn, '(a)') line > READ (iudyn, '(a)') line > READ (iudyn, '(a)') line > READ (iudyn, '(a)') line > END IF > > On Fri, Nov 24, 2017 at 8:04 AM, Isaiah Moses <[email protected]> wrote: > >> Thanks a lot Dr Paolo, >> >> Yes, I have ibrav = 0 after doing a vc-relax of my structure. >> >> I've seen the link but the fix? >> I'm trying to understand the fix, does it mean I can't have ibrav =0? >> >> Your comment is highly appreciated. >> >> Isaiah >> >> On Thu, Nov 23, 2017 at 10:08 PM, Paolo Giannozzi <[email protected]> >> wrote: >> >>> On Thu, Nov 23, 2017 at 11:40 AM, Isaiah Moses <[email protected]> >>> wrote: >>> >>> Reading dynamics matrix from file Hex.dyn3 >>>> ------------------------------------------------------- >>>> Primary job terminated normally, but 1 process returned >>>> a non-zero exit code.. Per user-direction, the job has been aborted. >>>> ------------------------------------------------------- >>>> >>> >>> are you by any chance using ibrav = 0? if so, there is a simple fix >>> (https://gitlab.com/QEF/q-e/commit/d93cbbb7fc5bcf6cd5effce83 >>> 8dce32309f02357) >>> >>> >>>> I've checked to ensure the same name were used for the prefix, fildyn >>>> and fildvscf >>>> in both phonon and el-ph input files. >>>> >>>> >>>> Any help in resolving this shall be greatly appreciated. >>>> >>>> Isaiah >>>> >>>> >>>> -- >>>> Isaiah Abu Moses >>>> Graduate Student, >>>> Physics Department, >>>> University of Ibadan, >>>> Nigeria >>>> >>>> _______________________________________________ >>>> 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 <+39%200432%20558216>, fax +39-0432-558222 >>> <+39%200432%20558222> >>> >>> >>> _______________________________________________ >>> Pw_forum mailing list >>> [email protected] >>> http://pwscf.org/mailman/listinfo/pw_forum >>> >> >> >> >> -- >> Isaiah Abu Moses >> Graduate Student, >> Physics Department, >> University of Ibadan, >> Nigeria >> >> _______________________________________________ >> 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 > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
