I have vasprun.xml file and obtained using LOPTICS = true and LOPTICS = true. I want to plot the absorption coefficient and PDOS. Do any body know how to plot the absorption coefficient. If some one have the script please attach that here?
I recommend you to use a VASP processing tools ---- Vaspkit. It can help you to get the linear optical properties in VASP.
WS2 is a semiconductor with band gap more than 2eV. I have calculated the band structure of this system in which the VBM (valence band maximum) is set at 0 eV and CBM (conduction band minimum)...
07 August 2016 6,244 3 View
Hi vasp users I have vasp installed on my workstation. I want to use the PAW psedo potentials from vasp in CP2K software for that the basis set functions as it is required to mention basis set...
07 August 2016 9,151 0 View
what is the difference between static and high frequency dielectric constant. What role these constants play in the electronic devices?
31 December 2015 5,514 6 View
Hi, Recently I was running VASP to calculate the spontaneous polarization of my alloy structure. I followed the instructions in this PDF wrote by Dr. Nabin (Nabaraj) Pokhrel, below is my INCAR...
07 August 2024 486 5 View
Hello, Can anyone provide me with the absorption coefficient of methane gas at 7.7 um? Any reference?
06 August 2024 980 5 View
Hi, i would like to simulate an absorption process in Aspen Plus. I want to use the NRTL model und would like to add some individual Henry coefficients. Is that possible and how?
05 August 2024 2,333 2 View
I am doing a study on nursing students satisfaction on the hospital attachment whether they are satisfied with the clinical attachment or not. I need more research studies on this
03 August 2024 6,985 2 View
Why is TLC not a form of partition chromatography and paper chromatography not a form of absorption chromatography?
03 August 2024 7,035 3 View
Dear all! Oxygen vacancies do raise negatively the Fermi level by increasing the negative charge in the semiconductor crystal structure. In the case of n-type semiconductors, I wonder if this...
30 July 2024 8,339 2 View
Hello Everyone! I am trying to create a metal hydride system where I am trying to create a temperature control with the emphasis on measuring the concentration of the hydrogen with the hydrogen...
29 July 2024 7,577 2 View
Dear Research Community I would like to invite Elctrical Engineering specialists to solve problems related to Ternary Algebra or tripple sets I have an algorithm that places in relation three...
28 July 2024 5,771 2 View
How to build a heterostructure in VESTA/VASP of two pristine materials having different space group and structure?
27 July 2024 739 2 View
Hi, I need to prepare a standard curve of H2O2 to evaluate the primary products of oxidation. H2O2 I have is 35%. How do I prepare a stock of H2O2 10 microlitere. If s.o has experience, I would be...
26 July 2024 3,460 2 View