hi all i am now trying to calculate el-ph but something was not well. anyone can give some advice ? i will be grateful the el-ph input :
el-ph calculation &inputph tr2_ph=1.0d-10, prefix='cnt-6-0', fildvscf='cnt60dv', amass(1)=12.011, outdir='/home/xyh/home2/pwscf/tmp/', fildyn='cnt60.dyn', elph=.true., trans=.true., ldisp=.true. nq1=1,nq2=1,nq3=1 / the part of outfile is : Pert. # 1: Fermi energy shift (Ry) = 0.0000 0.0000 iter # 83 total cpu time : 41448.8 secs av.it.: 40.6 thresh= 0.100E-01 alpha_mix = 0.700 |ddv_scf|^2 = 0.718E+20 kpoint 5 ibnd 49 solve_linter: root not converged 0.147E+03 Pert. # 1: Fermi energy shift (Ry) = 0.0000 0.0000 -- Xu Yuehua physics Department of Nanjing university China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080401/1de65e05/attachment.htm