Author Topic: Quation about the electron density unit in ATK and Vesta  (Read 3970 times)

0 Members and 1 Guest are viewing this topic.

Offline fangyongxinxi

  • QuantumATK Guru
  • ****
  • Posts: 143
  • Reputation: 0
    • View Profile
Dear,

I use ATK.12 calulate electron density, and export the result to a *.cub file.
In ATK, I can get the electron density very well. Now, I want draw the electron density in VESTA.
The problem is : the unit of electron dentiy in ATK is "electron/A^3", but the unit of isosurface value in VESTA is different with that in ATK.
So, can you tell me what's the unit of electron density in VESTA ?

Thanks.


Yong.
2014-5-13
« Last Edit: May 13, 2014, 15:17 by fangyongxinxi »

Offline zh

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: Quation about the electron density unit in ATK and Vesta
« Reply #1 on: May 14, 2014, 00:17 »
You can find the answer from the user guide of VESTA.

Offline Umberto Martinez

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 479
  • Country: dk
  • Reputation: 26
    • View Profile
Re: Quation about the electron density unit in ATK and Vesta
« Reply #2 on: May 15, 2014, 17:00 »
Note that you can easily plot your electron density directly in VNL from the LabFloor.