Sylvester Makumi

11 Questions 13 Answers 0 Followers

Questions related from Sylvester Makumi

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...

01 January 2020 6,829 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...

10 October 2019 8,706 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?

01 January 2019 2,658 10 View

Anomalous expansion of water.

When ice is melting to liquid water at zero degrees Celcius, does it expand or contract during this process?

07 July 2017 9,312 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?

05 May 2015 9,084 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...

04 April 2015 9,224 2 View

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

Does the schottky barrier occur in a graphene/metal contact? I will appreciate any reference on that

04 April 2015 1,982 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?

01 January 2015 638 4 View

Can any one help me understand what are the physical quantities represended by H, a, and D in the attached formula for adhesive force?

I found this formula that i want to use but am not sure what the H, a, and D are.

01 January 2015 6,458 2 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 2,888 1 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 2,739 3 View