[Pw_forum] wrong representation

Dear quantum espresso users I am running Phonon calculation for BaF2 324 atoms simple cubic supercell. I got the following error "Error in routine set_irr_sym_new (8122): wrong representation" using quantum espresso-5.0.2 the same calculation is running for scf without any error R

Re: [Pw_forum] wrong representation

Dear Paolo Giannozzi sorry I mean 5.0.2 tahks > From: paolo.gianno...@uniud.it > To: pw_forum@pwscf.org > Date: Sat, 18 Oct 2014 17:01:46 +0200 > Subject: Re: [Pw_forum] wrong representation > > On Sat, 2014-10-18 at 17:01 +0300, Alwaleed Adllan wrote: > > > > I

[Pw_forum] wrong representation

Dear quantum espresso group I am running Phonon calculation for BaF2 324 atoms simple cubic supercell I got this error "Error in routine set_irr_sym_new (8122): wrong representation" using quantum espresso-5.2 the same calculation is running for scf without any error any help Regards Al

[Pw_forum] bond length

Dear all I want to calculate the bond length of some material how can I do that I try example03 but the output not clear or may be I didn't understand it i need help thanks for all See all the ways you can stay connected to friends and family

[Pw_forum] bond length

Dear all I want to calculate the bond length of come material how can I do that I try example03 but the out but not clear or may be I don't understand it i need help thans _ Show them the way! Add maps and directions to your par