To draw a 2-D graph the only data needed is a group of XYZ. find xy and corresponding z,import it, and plot it. That's all
Vega Lew PH.D Candidate in Chemical Engineering State Key Laboratory of Materials-oriented Chemical Engineering College of Chemistry and Chemical Engineering Nanjing University of Technology, 210009, Nanjing, Jiangsu, China Date: Fri, 18 Jul 2008 19:56:15 +0800 From: [email protected] To: pw_forum at pwscf.org Subject: [Pw_forum] charge density Hi everyone I run the example05 to calculate the charge density of Si and get the charge density graph in ps format. But I want to draw it in Origin. Can anyone tell me how to draw the 2D charge density graph in Origin? Do i need to get another file in format .xmgr like plot band ? The charge data (si.rho.dat) is as follows : 55 39 0.0000 0.0257 0.0514 0.0771 0.1029 0.1286 0.1543 0.1800 0.2057 0.2314 0.2571 0.2828 0.3086 0.3343 0.3600 0.3857 0.4114 0.4371 0.4628 0.4885 0.5143 0.5400 0.5657 0.5914 0.6171 0.6428 0.6685 0.6943 0.7200 0.7457 0.7714 0.7971 0.8228 0.8485 0.8742 0.9000 0.9257 0.9514 0.9771 1.0028 1.0285 1.0542 1.0799 1.1057 1.1314 1.1571 1.1828 1.2085 1.2342 1.2599 1.2856 1.3114 1.3371 1.3628 1.3885 1.4142 0.0000 0.0256 0.0513 0.0769 0.1026 0.1282 0.1538 0.1795 0.2051 0.2308 0.2564 0.2821 0.3077 0.3333 0.3590 0.3846 0.4103 0.4359 0.4615 0.4872 0.5128 0.5385 0.5641 0.5897 0.6154 0.6410 0.6667 0.6923 0.7179 0.7436 0.7692 0.7949 0.8205 0.8462 0.8718 0.8974 0.9231 0.9487 0.9744 1.0000 0.1411E-02 0.4468E-02 0.1442E-01 0.3080E-01 0.4852E-01 0.6034E-01 0.6262E-01 0.5729E-01 04886E-01 0.4088E-01 0.3470E-01 0.3028E-01 0.2726E-01 0.2552E-01 0.2516E-01 0.2623E-01 0.2861E-01 0.3230E-01 0.3755E-01 0.4468E-01 0.5319E-01 0.6063E-01 0.6266E-01 0.5553E-01 0.3997E-01 0.2201E-01 0.8522E-02 0.2155E-02 0.2155E-02 0.8522E-02 0.2201E-01 0.3997E-01 0.5553E-01 0.6266E-01 0.6063E-01 0.5319E-01 0.4468E-01 0.3755E-01 0.3230E-01 0.2861E-01 0.2623E-01 0.2516E-01 0.2552E-01 0.2726E-01 0.3028E-01 0.3470E-01 0.4088E-01 0.4886E-01 0.5729E-01 0.6262E-01 0.6034E-01 0.4852E-01 0.3080E-01 0.1442E-01 0.4468E-02 0.1411E-02 0.4434E-02 0.8365E-02 0.2038E-01 0.3881E-01 0.5767E-01 0.6964E-01 0.7155E-01 0.6584E-01 0.5723E-01 0.4922E-01 0.4305E-01 0.3856E-01 0.3537E-01 0.3347E-01 0.3307E-01 0.3425E-01 0.3682E-01 0.4062E-01 0.4590E-01 0.5303E-01 06163E-01 0.6935E-01 0.7180E-01 0.6486E-01 0.4869E-01 0.2907E-01 0.1337E-01 0.5407E-02 ..................... .................... I really appreciate your help. Sincerely yours PengHua 22?????,8.5?????,???????????? _________________________________________________________________ Explore the seven wonders of the world http://search.msn.com/results.aspx?q=7+wonders+world&mkt=en-US&form=QBRE -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080718/326de4d4/attachment.htm
