TiO2 breakdown voltage

Hi there. I am curious about how to calculate electrical conductivity and current-voltage characteristics. I have looked at a tool like BoltzTraP2 alongside VASP, but BoltzTrap2 only outputs σ/𝜏 but I do not know how to obtain that 𝜏 value to only get the electrical conductivity. There are other tools supposedly available such as LanTraP and AICON2, but these are not possible for me to use, or did not work for me.

I am also open to using CP2K, which I think would rely on NEGF calculations to get these properties, but I am not sure what post-processing tools to use here to get the electrical conductivity and current-voltage characteristics.

Could you guide me to post-processing tools, python scripts or software that can do what I would like, this includes looking at alternative DFT tools that more easily allows me to get these aforementioned properties?

I need to know about the difference between Origin Pro & MATLAB. Can anyone explain..??

What does it mean when quantitative analysis of the compositional elements (from EDS analysis) gives the weight percentage and Atomic percentage of the elements with a negative sign, for example( -1.05) while the existence of this element from XRD analysis and the elemental mapping images?

Hi, I want to know why SiO2 shows hydrophobic properties in Si+SiO2 wafer.

After piranha cleaning SiO2 shows hydrophilic properties, but without this(only solvent cleaning: Acetone, IPA) SiO2 shows hydrophobic properties

And also the next day after piranha cleaning SiO2 shows hydrophobic properties.

What is the reasons? thank you

EDS analysis gives the elemental composition in two ways. Should we mention weight % or atomic % for publication in journals

I am trying to spin coat single walled carbon nanotube (in DMF) and Gold nanoparticles (in Chloroform) on rough PMMA surface, but I am getting very non-uniform spread of the nanoparticles. There are random chunks/ islands of the nanoparticles after the solvent is evaporated. What are the possible reasons behind this phenomena? Thanks in advance.

I need the following reference pattern files for XRD analysis. Where can i find them?

Reference Pattern = 96-210-1125

Reference Pattern = 01-074-2329

I am trying to find spontaneous polarization of a system using LCALCPOL tag in vasp which gives total dipole moment. Please guide me how to calculate spontaneous polarization value from that.