I am sorry, i thought you were asking about x y z coordinates of atoms! -mighfar
Dear Srijan, that's exactly what > calculation='relax' does! > > > Mighfar > JNCASR, Bangalore > > >> Is there any option in PWSCF which allow to >> move >> >> x, y and z axis, keeping volume unchanged ??? >> >> Thanking you all, >> Saha S.K. >> JNCASR >> Bangalore >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
