On Thu, 08 Nov 2012 16:15:01 +0100, Said Asma <saidasma1987 at yahoo.fr> wrote:
> Dear Quantum Espresso users, > > > I relaxed the wurtzite structure GaBi then I extracted the new atomic > positions from the result file relax.out and I included them in the > scf.in. > However, the scf.out gives me the error "from f_mkdir: error # 195 > invalid character " > > Why such a problem occurs? > > My input file is as following: > > > &control > calculation='scf' > prefix='gabiwrelax?' > pseudo_dir = '/home/user/Bureau/pseudo/', > outdir='/home/user/Bureau/' > / I would assume this comes form the '?' character you've supplied in the prefix. Simon -- Simon Binnie | Post Doc, Condensed Matter Sector Scuola Internazionale di Studi Avanzati (SISSA) Via Bonomea 256 | 34100 Trieste | sbinnie at sissa.it
