Hi, try add the following command to the &control part of the scf input.
Best Regards, Geoffrey Peking University, China -----原始邮件----- 发件人:"杨顶峰" <[email protected]> 发送时间:2015-04-24 21:20:02 (星期五) 收件人: [email protected] 抄送: 主题: [Pw_forum] a phonon calculation problem Dear, I am trying the qe5.1 to calculate the phonon dos and phonon dispersion curve of a crystal compound. First, geometry structrue and a single Energy calculation were ran sucessfully. Next, WHen i began the dynamtrxi calculation, there is a problem. pesudo potential files: Cu.pbe-mt_fhi.UPF, S.pbe-mt_fhi.UPF, V.pbe-mt_fhi.UPF my cu3vs4.ph.in file contents: phonon for cu3vs4 &inputph tr2_ph=1.0d-14, prefix='cu3vs4', amass(1)=63.54, amass(2)=50.9415, amass(3)=32.06, outdir='./', fildyn='cu3vs4.dyn', trans=.true., ldisp=.true. nq1=5, nq2=5, nq3=5, / and it gives wrong results: task # 6 from phq_readin : error # 1 pw.x run with a different number of processors. Use wf_collect=.true. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% so i add the "wf_collect=.true." in the cu3vs4.ph.in files,and run the order "mpirun -np 8 ph.x < cu3vs4.ph.in > cu3vs4.ph.out", it still can not work and shows: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% task # 4 from phq_readin : error # 19 reading inputph namelist %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% how can i conquer the problem ? Please help me , thanks a lot!
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