This problem is almost invariably due to the use of single precision in the number of digits of the atomic positions (see 1/3 2/3 below). To continue the calculation you can disable the symmetry analysis of the modes by using search_sym=.FALSE. in the ph.x input, or increase the number of digits in the atomic positions.
HTH, Andrea On Wed, 2017-08-30 at 09:24 +0000, LEUNG Clarence wrote: > Cu 0.6666666073d0 0.3333333142d0 0.5000204705d0 > Br 0.3333333927d0 0.6666666858d0 0.4999795295d0 > > -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: [email protected] _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
