Dear Álvaro,
Can you please be more specific? Perhaps attaching the output file would be helpful. It's not entirely clear what you meant by 'does not write the final coordinates nor the new vectors of the crystal lattice.' Did you mean the entire section between Begin final coordinates / End final coordinates was missing in your output file? Regards, --- BANG C. HUYNH Peterhouse University of Cambridge CB2 1RD The United Kingdom On 08-09-2015 19:45, Alvaro Santos Alves wrote: > Hi all. I'm trying to use the vc-relax to optimize the cell. However, after > reaching convergence, PW does not write the final coordinates nor the new > vectors of the crystal lattice. Can someone please explain what's going on? > > Regards, > > Álvaro Santos Alves > Universidade Estadual de Feira de Santana, Bahia, Brazil > Departamento de Física > Laboratório de Física de Materiais. > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum [1] Links: ------ [1] http://pwscf.org/mailman/listinfo/pw_forum
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