Dear everyone
In the manual, it show the CHGCAR file contain the total charge density multiplied by the volume. when we use p4vasp visualizing the file, if charge density figure gived have divide by the volume ?
Also when I want to copy the visualized graph or figure in the p4vasp,how to realize it?
some questions about calculations that different setting in the INCAR file and static calculation.
I relax the ions setting ICHARG=2 and LWAVE=.TRUE.in the INCAR file ,I obtain CHGCAR file and WAVECAR file .In order to my aim ,I first hope CHGCAR and WAVECAR file are written out,but in the future I should use them , therefore I relax the ions setting ICHARG=1 and LWAVE=.FALSE. in the INCAR file . Then I copy CONTCAR(the former relaxation) to POSCAR and make the static calculation setting ICHARG=2 , LWAVE=.TRUE.in the INCAR file, obtain the CHGCAR WAVECAR file and energy .But I find the energy ,CHGCAR,WAVECAR are not perfect uniform by comparing to them. Why? Despite differnce is tiny,when I calculate the DOS, charge density and using the WAVECAR file, can I copy CONTCAR(relaxed the ions) to POSCAR and then make the static calculation?
Thanks for your help!!!
Plot the charge density using p4vasp and other question
Moderators: Global Moderator, Moderator
-
shmily
Plot the charge density using p4vasp and other question
Last edited by shmily on Tue Jul 19, 2005 1:37 am, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Plot the charge density using p4vasp and other question
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP