On Apr 23, 2009, at 3:57 AM, sd.wang000 wrote: > Dear all users: > I have calculated phonons at Gamma point,and I found erro following? > > from phq_readin : error # 17 > reading inputph namelist > > stopping ... > > The input file is? > phonons of NaCoO at Gamma > &inputph > tr2_ph=1.0d-14, > prefix='pwscf', > epsil=.true., > amass(Na)=22.989, > amass(Co)=58.999, > amass(O)=15.999,
a minimum proficiency in FORTRAN would help anybody willing to do numerical simulations ... as the syntax clearly indicates, "amass" is an array. in fortran you can only address elements in an aray by their (numerical) position: amass(1), amass(2), amass(3), ... As Stefano de Gironcoli (as well as zillions of others) was suggesting, providing your name and affiliation is considered a sign of respect in this mailng list. please, stick at this custom, if you can. Stefano Baroni --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090423/c5e9075e/attachment-0001.htm
