[CP2K-user] TZVP vs DZVP basis

[Wan-Lu Li]

Dear CP2K users,

I generated DZVP-MOLOPT-SR basis sets for some elements, but now I also
want to optimize TZVP type of basis. In the existing BASIS_MOLOPT file, I
found the first two columns corresponding to the first two zeta functions
of each angular momentum in these two types are the same, such as C as
follows (bold numbers in TZVP are the same as those in DZVP). Why are the
first two columns the same, as well as the "polarization" term? Just cut
the last column of triple-zeta to generate double-zeta type? Really
appreciate your kind help! Thanks in advance!

Sincerely,
Wanlu

 C  DZVP-MOLOPT-GTH DZVP-MOLOPT-GTH-q4
 1
 2 0 2 7 2 2 1
      6.132624767898 -0.105576563700  0.024850587600  0.035098108400
-0.056712999000  0.037469425800
      2.625196064782 -0.174866621100  0.147440856000  0.114197930900
-0.076743951500  0.071047574800
      1.045456957247  0.064464981400 -0.421418379200  0.215908137300
-0.528056757000  0.619330561200
      0.478316330874  0.830447035300  0.823051336800  0.355929151000
 0.394594045700  0.710730857000
      0.178617414302  0.371911373800  0.184880712100  0.271541842000
 0.721247475800  0.389148235000
      0.075144725465  0.006174464000 -0.742086051600  0.056256557700
 0.733902531700  0.346374124100
      0.030286753006  0.008966477300  0.083382192000  0.004998059700
 0.248172175500 -0.005142430900


 C  TZVP-MOLOPT-GTH TZVP-MOLOPT-GTH-q4
 1
 2 0 2 7 3 3 1
      6.132624767898 *-0.105576563700  0.024850587600* -0.047388414100
* 0.035098108400
-0.056712999000* -0.006742034000 * 0.037469425800*
      2.625196064782* -0.174866621100  0.147440856000* -0.054003851700
 *0.114197930900
-0.076743951500* -0.031163909400  *0.071047574800*
      1.045456957247  *0.064464981400 -0.421418379200* -0.056737220700
 *0.215908137300
-0.528056757000* -0.126324702500  *0.619330561200*
      0.478316330874  *0.830447035300  0.823051336800 * 0.450960854100
 *0.355929151000
 0.394594045700*  0.629779932600  *0.710730857000*
      0.178617414302  *0.371911373800  0.184880712100* -0.611198185900
 *0.271541842000
 0.721247475800* -0.487599713200  *0.389148235000*
      0.075144725465  *0.006174464000 -0.742086051600*  0.365424292900
 *0.056256557700
 0.733902531700*  0.218697596000  *0.346374124100*
      0.030286753006  *0.008966477300  0.083382192000* -0.079339373900
 *0.004998059700
 0.248172175500* -0.137064380000* -0.005142430900*
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