[Pw_forum] charge density

penghua penghua8503 at 163.com
Fri Jul 18 13:56:15 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 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  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
  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  0.6163E-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

 

 
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