<div dir="ltr"><div>Hello.</div><div><br></div><div>I have a problem to calculate dE/dk at the same symmetry point.</div><div>my system is fcc copper.</div><div>fcc have 48-fold symmetry at k point</div><div>But, postw90 outputs are not same.</div><div>So I confused and I want to solve this problem.</div><div><br></div><div>This data means </div><div>E dE/dk_x dE/dk_y dE/dk_z E dE/dk_x dE/dk_y dE/dk_z</div><div>forward 4 column's <span style="color:rgb(0,0,0);font-family:새굴림,gulim;font-size:12px">significant figure is 3, backward 4 column's </span><span style="color:rgb(0,0,0);font-family:새굴림,gulim;font-size:12px">significant figure is 4.</span></div><div><span style="color:rgb(0,0,0);font-family:새굴림,gulim;font-size:12px">from geninterp.dat</span></div><div><span style="color:rgb(0,0,0);font-family:새굴림,gulim;font-size:12px"><br></span></div><div>17.21000000      -3.786164399       6.078820501     -0.7626409614    17.21080000      -3.789592487       6.083156864     -0.7648635660    <br>17.21000000      0.7273008447       6.068293068       3.719587496    17.21080000      0.7294637780       6.072703532       3.722785249    <br>17.21000000      -3.748381185      -6.123078555     -0.7703471694    17.21080000      -3.751677452      -6.127476183     -0.7724915546    <br>17.21000000      0.7175775072      -6.064233573       3.652398477    17.21080000      0.7197954243      -6.068840887       3.655581812    <br>17.21000000       3.811182158     -0.6385692707       6.088260019    17.21080000       3.814251996     -0.6407910803       6.092483829    <br>17.21000000       3.597051686      0.6683043095       6.002478520    17.21080000       3.600400700      0.6707058544       6.006418088    <br>17.21000000      -6.138364360     -0.6771169550      -3.626092370    17.21080000      -6.143249850     -0.6794731789      -3.629057707    <br>17.21000000      -6.151460240      0.6078740148      -3.792474387    17.21080000      -6.156059418      0.6099465920      -3.795835474    <br>17.21000000      -6.072405268       3.648587918     -0.6660696332    17.21080000      -6.076999033       3.651831475     -0.6681730662    <br>17.21000000      0.7281026479      -3.697330981       6.097254125    17.21080000      0.7303427799      -3.700562254       6.101404339    <br>17.21000000      -3.631330596       6.152152921      0.7966378365    17.21080000      -3.634391284       6.156947365      0.7991440442    <br>17.21000000      0.7718192572       3.836382910       6.197878740    17.21080000      0.7741191058       3.839709201       6.202070733    <br>17.21000000     -0.6873279960       6.040980040       3.670112215    17.21080000     -0.6894776544       6.045456855       3.673247313    <br>17.21000000      -6.138549125      -3.743104643     -0.6701611815    17.21080000      -6.143436141      -3.746466400     -0.6723173095    <br>17.21000000      -3.682044180      -5.998719361      0.7081022441    17.21080000      -3.685358791      -6.003266205      0.7106910533    <br>17.21000000     -0.6460891075      -6.056710039       3.627152913    17.21080000     -0.6485004514      -6.061295135       3.630377225    <br>17.21000000     -0.7851612914      -3.648266695       6.084079582    17.21080000     -0.7871480153      -3.651417263       6.088216139    <br>17.21000000      -6.061397424       3.712628476      0.7298585672    17.21080000      -6.065897679       3.715925175      0.7321889417    <br>17.21000000     -0.6666860298       3.668399816       6.129111730    17.21080000     -0.6691144016       3.671768204       6.133427148    <br>17.21000000      -6.097796198      -3.742811952      0.6695060339    17.21080000      -6.102223241      -3.746033727      0.6717536690    <br>17.21000000      -6.058561761     -0.7747365763       3.761038746    17.21080000      -6.063151836     -0.7770135909       3.764365323    <br>17.21000000      -3.756517887     -0.7789550478       6.038534671    17.21080000      -3.759594815     -0.7808325561       6.042891242    <br>17.21000000      -6.033462336      0.7668438237       3.677834829    17.21080000      -6.037966383      0.7691350463       3.681209517    <br>17.21000000      -3.672801804      0.6635574886       6.010640290    17.21080000      -3.675951570      0.6656525731       6.015041681    <br>17.21000000       3.684826343     -0.6506558762      -6.036671178    17.21080000       3.687976471     -0.6527511374      -6.041072879    <br>17.21000000       6.037604907     -0.7612910158      -3.679438394    17.21080000       6.042108819     -0.7635817916      -3.682813677    <br>17.21000000       3.771280836      0.7786767149      -6.056928814    17.21080000       3.774357183      0.7805549832      -6.061285879    <br>17.21000000       6.065283993      0.7743015357      -3.766112684    17.21080000       6.069874186      0.7765777803      -3.769439157    <br>17.21000000       6.088232593       3.745672342     -0.6789861637    17.21080000       6.092658491       3.748893593     -0.6812332159    <br>17.21000000      0.6651192770      -3.667258139      -6.122860916    17.21080000      0.6675477059      -3.670626452      -6.127176078    <br>17.21000000       6.048771685      -3.699705564     -0.7343051158    17.21080000       6.053271899      -3.703000381     -0.7366362914    <br>17.21000000      0.7907896307       3.658158951      -6.085914147    17.21080000      0.7927767546       3.661309753      -6.090051151    <br>17.21000000      0.6457372982       6.053948801      -3.630279887    17.21080000      0.6481492407       6.058533459      -3.633503798    <br>17.21000000       3.688936871       6.021118916     -0.6969907232    17.21080000       3.692252314       6.025665983     -0.6995797259    <br>17.21000000       6.131473149       3.741240331      0.6729037143    17.21080000       6.136360361       3.744601286      0.6750600659    <br>17.21000000      0.6906078050      -6.037176775      -3.661057326    17.21080000      0.6927580310      -6.041654822      -3.664192922    <br>17.21000000     -0.7805226263      -3.841038111      -6.189423721    17.21080000     -0.7828224393      -3.844364343      -6.193615744    <br>17.21000000       3.620591728      -6.128048943     -0.8064320149    17.21080000       3.623652036      -6.132842122     -0.8089381123    <br>17.21000000     -0.7354504439       3.705370189      -6.095880095    17.21080000     -0.7376906920       3.708601198      -6.100030159    <br>17.21000000       6.064486335      -3.638077995      0.6657666226    17.21080000       6.069079635      -3.641321102      0.6678693236    <br>17.21000000       6.148576296     -0.6010419513       3.786954017    17.21080000       6.153176160     -0.6031140742       3.790315036    <br>17.21000000       6.127906808      0.6845991876       3.621644797    17.21080000       6.132792057      0.6869544232       3.624611710    <br>17.21000000      -3.610218944     -0.6498767890      -6.035173824    17.21080000      -3.613567665     -0.6522785152      -6.039112002    <br>17.21000000      -3.825888854      0.6337710408      -6.112759931    17.21080000      -3.828956993      0.6359931157      -6.116983718    <br>17.21000000     -0.7259917253       6.065043162      -3.663793239    17.21080000     -0.7282099908       6.069650478      -3.666976363    <br>17.21000000       3.755982595       6.152708564      0.7523204251    17.21080000       3.759278381       6.157106844      0.7544643181    <br>17.21000000     -0.7202780460      -6.071489308      -3.711349340    17.21080000     -0.7224407768      -6.075899731      -3.714547465    <br>17.21000000       3.778412799      -6.064758597      0.7664650984    17.21080000       3.781841271      -6.069094620      0.7686887097<span style="color:rgb(0,0,0);font-family:새굴림,gulim;font-size:12px"><br></span></div><div><span style="color:rgb(0,0,0);font-family:새굴림,gulim;font-size:12px"><br></span></div><div><span style="color:rgb(0,0,0);font-family:새굴림,gulim;font-size:12px">please help.</span></div><div><font color="#000000" face="새굴림, gulim"><span style="font-size:12px">sincere.</span></font></div><div><br></div>-- <br><div dir="ltr" data-smartmail="gmail_signature"><div dir="ltr"><div style="color:rgb(136,136,136)">Jin Soo Lee</div><div style="color:rgb(136,136,136)">CNPL</div><div style="color:rgb(136,136,136)">Department of Physics, Kyung Hee University</div></div></div></div>