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Error in routine lambda (100): wrong # or too many modes
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ÇóÖú£¬ÎÒÓÃlambda.xË㳬µ¼×ª±äζȱ¨Õâ¸ö´í 60 0.12 1 ! emax (something more than highest phonon mode in THz), degauss, smearing method 10 ! Number of q-points for which EPC is calculated, 0.0000000 0.0000000 0.0000000 1.00 0.2500000 0.0000000 0.0000000 6.00 0.5000000 0.0000000 0.0000000 3.00 0.2500000 0.2500000 0.0000000 12.00 0.5000000 0.2500000 0.0000000 12.00 0.5000000 0.5000000 0.0000000 3.00 0.2500000 0.2500000 0.2500000 8.00 0.5000000 0.2500000 0.2500000 12.00 0.5000000 0.5000000 0.2500000 6.00 0.5000000 0.5000000 0.5000000 1.00 elph_dir/elph.inp_lambda.1 ! elph output file names, elph_dir/elph.inp_lambda.2 ! in the same order as the q-points before elph_dir/elph.inp_lambda.3 elph_dir/elph.inp_lambda.4 elph_dir/elph.inp_lambda.5 elph_dir/elph.inp_lambda.6 elph_dir/elph.inp_lambda.7 elph_dir/elph.inp_lambda.8 elph_dir/elph.inp_lambda.9 elph_dir/elph.inp_lambda.10 0.10 ! \mu the Coloumb coefficient in the modified ! Allen-Dynes formula for T_c (via \omega_log) ÕâÊÇÎÒµÄlambda.inÎļþÄÚÈÝ£¬ÇóÖú¸÷λ´óÀÐÕâÊÇÔõô»ØÊ£¿ |
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