[Pw_forum] charge density

penghua penghua8503 at 163.com
Fri Jul 18 14:11:46 CEST 2008


 
  

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 .xmgr format as 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  0.4886E-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

......
 

Sincerely yours

PengHua

 

School of Physics, Shandong University

Jinan 250100, P R China
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