Comments (3)
ericfonseca95
commented on August 11, 2024
Hello,
This graph shows you have a dipole across your system. Additionally, the peak is likely due to the bound charges on the surface of your metal. Please confirm this with your bound charge file (RHOB). Also, please message me with questions. Issues are for bugs with the code. Thanks!
Eric Fonseca
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anwin-john
commented on August 11, 2024
I am incredibly sorry again to reply to this thread. May I know how to message you directly? Like the medium through which you are comfortable. I couldn't see your mail address in your account.
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ericfonseca95
commented on August 11, 2024
No problem! 😄 I started a discussion page on the VASPsol GitHub. This is just an effort to help keep things organized. Thank you for your questions!
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Related Issues (20)
- Patches for VASP 6.3 HOT 13
- 1. Free Energy or Energy calculated at T=0 K in the OUTCAR calculated using VASPsol. HOT 1
- Confusion about DFT energy correction using FERMI_SHIFT HOT 3
- Unable to build VASP 5.4.4 with new Intel OneAPI compilers, mpi mkl HOT 1
- Water molecules at the intersection of implicit and explicit solvents behave abnormally HOT 3
- How to set the parameters in the isolated system of charged adsorbates? HOT 1
- Speed of solvation step with VASPsol HOT 1
- clear
- Fermi energy changes with the value of parameter NC_K
- VASPsol for solid-solid interfaces HOT 1
- How to get the profile of dielectric constant HOT 1
- add topic tags
- requesting pbz_patch_541 patch file
- VASPsol Patch File for VASP 6.4.3 HOT 1
- Will the uniform background charge be turned off after introducing VASPsol for charged slabs? HOT 2
- requesting pbz_patch_5.4.4 patch file
- VASP sol patch file for VASP 6.4 HOT 1
- Issue with optimization with vaspsol with EMIM (EB_K=8.81) HOT 2
- The change of EFERMI_ref in VASPsol++ has no effect on the calculation results HOT 1
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