How to Apply Hydrostatic Pressure in VASP ?

02 March 2018 5,137 6 View

How to convert EIGENVAL file of VASP into BXSF format?

DFT, Condensed Matter Physics Theory, Material Science

10 November 2017 6,028 0 View

A magnetic material can be a nodal line semimetal?

Dft , condensed matter physics , material scienced , computational physics

09 October 2017 1,772 3 View

Is there any method to find all possible values of kx, ky,kz for a specific energy in DFT and do we need any special software for it?

Density Functional Theory, First Principle Calculations, Theoretical Condensed Matter Physics, Material Science, Solid State Physics

09 October 2017 3,507 4 View

Can anyone please send me the detail method to install wannier90 1.2?

DFT,Material Science, Condensed Matter Physics, Chemistry

09 October 2017 4,052 1 View

Is it possible that we get a dirac cone by the contribution of orbitals of two different atoms? If yes then which symmetry will protect it?

08 September 2017 2,520 4 View

How and with which software can we plot 3D iso-energy surface? If someone has done this before, Is it possible that he give me a sample code for it?

DFT, Material Science, Theoretical Condensed Matter Physics

08 September 2017 5,940 5 View

How to define a Hamiltonian for a system like BaSi2, CaSi2 etc ?

08 September 2017 824 3 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

How climate change will influences human and animal behavioral change?

The role of climate change influencing the human behavior as well as economics interest

01 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 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

Could you recommend any books about Number Theory?

Beginner level books. High level books. Analytical Number Theory. Algebraic Number Theory. Combinatorical Number Theory. Books about partitions. Books about primes.

03 March 2021 7,174 5 View

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10?

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10? Since, the growth curve from day 2 to 10 won't be like the "Logistic curve" it might not follow logistic...

03 March 2021 1,401 3 View