shankar1729 / jdftx

JDFTx: software for joint density functional theory
http://jdftx.org
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how to add dielectic constant of 0.1 M KOH solution in water in JDFTx #306

Closed Deevansh-123 closed 8 months ago

Deevansh-123 commented 8 months ago

good afternoon Sir how to add implicit solvation method in JDFTx and how to calcuate the dielctric constant for the 0.1M KOH thank you Deevansh

shankar1729 commented 8 months ago

Hi Deevansh,

Please go through the tutorials at http://jdftx.org/Tutorials.html: they walk you through several solvation model options and how to analyze the results, both for molecules and solid surfaces. As mentioned previously, the Issues pages are for discussing specific questions beyond what has already been covered in the documentation, tutorials and previous discussions. The questions you asked here are adequately covered in the tutorials already, so please work though them and develop an understanding of how to use the features of the code first.

Best, Shankar