I request for help; I want to install BoltzTrap for quantum Espresso in ubuntu but I am having problems. Is the attached what i should expect?

I am getting so many warnings. Is this what I should expect? sylvester@sylvester-HP-EliteBook-840-G2:~/Applications/boltztrap-1.2.5/src$ make clean rm -f *.o *.mod *.pc *.pcl...

31 December 2019 6,193 1 View

How can I calculated transport properties of layered materials across plane and in-plane?

I want to calculate the cross-plane and in-plane transport properties of layered materials using quantum espresso and boltztrap codes. I don't understand how to choose between in-plane and...

09 October 2019 8,597 1 View

What is the best software for modelling and simulation of materials?

I want to study thermoelectric properties(seebeck, peltier, and thermal conductivity) and electrical conductivity of 2D materials. Do we have free download versions?

31 December 2018 2,561 10 View

Anomalous expansion of water.

06 July 2017 9,214 3 View

How is the minimum conductivity of graphene affected by the number of layers?

What is the relationship between the minimum conductivity and number of layers in graphene?

04 May 2015 8,995 1 View

Is a single carbon atom compressible or in-compressible?

We know that when compression forces are applied on a material its atoms are pushed closer together, but do the specific atoms get compressed like a balloon? if you apply compression forces on a...

03 April 2015 9,098 2 View

Does the schottky barrier occur in a graphene/metal contact?

03 April 2015 1,894 1 View

Suppose I have an AC current source and I want to combine them to give maximum sum, should I use series or parallel combination?

How is the sum of current calculated?

31 December 2014 545 4 View

How to choose ibrav in quantum espresso

I understand graphene has a hexagonal structure(ibrav=4), but in this example, https://www.afs.enea.it/buonocor/graphene-with-pwscf.html they choose ibrav=12 (while running "vc-relax", "scf",...

01 January 1970 2,455 3 View

What is the criterion for selecting suitable pseudopotentials for thermoelectric properties study?

Which one is suitable in a study involving graphene?

01 January 1970 2,804 1 View

Physics: Why do we describe light by referring to its wavelength, but microwaves and radar pulses by referring to their frequency?

In physics, the description of the properties of light generally refers to its wavelength (nm), while in the range of microwaves and radio waves we refer to the frequency of a signal (e.g. kHz or...

03 March 2021 1,682 3 View

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...

02 March 2021 4,910 3 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein?

Hi In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein? I got this error in the add-ion stage: Fatal error "./ amber99sb-ildn-HHH.ff / force...

01 March 2021 8,747 4 View

What is the density for pva electrospining?

I'm Juan Carlos, a high school student who is working with electropinning, I made an electropinning machine with a 21g needle and a 30kv high voltage source and the distance between my needle is...

28 February 2021 298 3 View

Should we reduce the standard unit of length to 0.31951540592 meter ?

The reasoning behind this question is to align the ratios of the proton potential in energy per charge to the speed of light in distance per time. As these two dimensions appear to be related,...

27 February 2021 947 7 View

How do you mesh a thin solid in Fluent?

Hello, I have used the shell function on SpaceClaim to create thin solids for the model I am studying. These are contained within an enclosure for my study. I chose this approach as it avoids the...

24 February 2021 8,856 3 View

Any easy method of analyzing vitamin D in foods by HPLC?

Looking for method of extracting and analyzing vitamin D in foods by HPLC

24 February 2021 7,524 7 View

Why does the sum of reaction forces not match the force component of a Free Body Cut in Abaqus?

I am using Abaqus to simulate a plate with in-plane loading. The boundary conditions allow the right edge to move up and down, the displacements on the left edge are fixed. There is no rotation...

23 February 2021 711 3 View

No streamlines present in a small region inside a flow. This means exactly what?

No streamlines present means whether the flow is getting obstructed there and the velocity inside the region is zero? Or else, the fluid is trapped inside that region with a nonzero velocity?...

22 February 2021 5,249 10 View