How the year 2021 can be made good for global community?

Many steps can be taken to make the year 2021 good for humanity. For instance, if powerful and rich countries decide and spend some part of their resources for the improvement and betterment of...

30 December 2020 830 4 View

What was the most worst thing and what was the most beneficial thing that happened for global community in 2020?

Many bad and good things happened for global community in 2020. However, the present question is about one top most worst thing and one top most good thing that happened in the world in 2020 and...

30 December 2020 6,262 3 View

What can happen in the world if large scale melting of continental and alpine glaciers occurs?

Several environmental experts have warned about the global warming and its effects on different ecosystems. It may also cause large scale melting of continental and alpine glaciers. If this...

23 December 2020 4,630 3 View

Is there any relationship/correaltion between 1) elastic modulus and adhesion or 2) elastic modulus and density of solid material or polymers?

21 December 2020 1,853 3 View

I am performing enzyme inhibition assay and the substrate is fluorogenic & fluorescence was measured. Now I want to calculate Vo and Vi. How can I ??

These are the per minute fluorescence observed. Please guide me how can I determine Vi, Vo and IC50 ? By slope determination or any other method? Control: 28.11 40.30 40.78 37.61...

11 December 2020 1,037 4 View

Which countries have comparatively more secure future, agricultural or industrial?

Agriculture provides for almost all the basic needs essential for survival and industries provide mostly the luxury commodities required for comfortable life. However, some countries are heavily...

07 December 2020 2,153 15 View

How many fish kinds are found in the world and how much of them are edible as human food?

About 71% of the earth's surface is covered by the water bodies which contain huge amount of creatures. Humans are commonly concerned with fish because it is consumed almost in every part of the...

06 December 2020 8,146 4 View

Is electromagnetic radiation seriously harming immune system of human body?

Presently we are living in 'electronics age'. Use of electronics has dominated every sphere of life in almost all parts of the world. All electronic appliances release electromagnetic radiation...

08 November 2020 1,558 2 View

How can I apply Cyclic loading in ANSYS Mechanical APDL as a second Load step after a Static 1st Load step?

I am simulating a masonry wall under in-plane cyclic loading. Before the cyclic load is applied, it must be loaded with gravity direction surcharge load (or pre-compression). However, whenever I...

14 October 2020 3,253 1 View

I am operating 2.5 MGD combined effluent treatment plant but the pH is increasing in the aeration tank and reaching 9.2 which is affecting microbial?

Any one can guide me that how can I increase MLSS concentration in aeration tank of Activated sludge process. The pH of influent coming from primary clarifier was 7.1 and after taking water in...

30 September 2020 8,846 7 View

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25 February 2021 5,713 1 View

What is the appropriate k points number for band structure calculation ?

Hi everybody, I am a new user wien2k 14. I am trying to optimize the electronic structure of ternary alloy (with 8 atom in the unit cell) but I am not sure about the good k points number. Thank you.

14 December 2020 7,719 8 View

Physical significance of Gap between optical and acosutic branches in Phonon Dispersion?

Hello Everyone, Recently I am doing some Phonon branchesbased studies. For some materials the gap between the optical and acoustic branch is small, for some it's large and for some there is no...

04 November 2020 3,987 2 View

Did anyone tried Wien2k 19.2? I observed that it is less stable than 18.2?

When I used it to caculate the formation energy of a compound. It gives errors when trying to calculate the energy of a free atom. While using the same struct file in 18.2 no errors appear.

16 August 2020 1,384 6 View

How can i calculate the effective mass of electron and hole for perovskite materials from Wien2k calculations (DFT) ?

I have generated the band structure of my material using Wien2k software , Please could you explain me how we can calculate the effective mass of electron and hole for perovskite materials...

01 June 2020 604 6 View

How to run DFT-1/2 by wien2k?

26 March 2020 4,994 3 View

How to perform antiferromagnetic DFT calculations?

There are three types of antiferromagnetism, namely A , C and G type. I want to perform DFT calculations with these types of antiferromagnetism using either Quantum Espresso or Wien2K codes in...

24 October 2019 7,175 3 View

How to Run Boltztrap In parallel?

Hello, Is anyone using Boltztrap in parallel. because by default it runs only using single cores. So is anyone running it using mpirun or any other parallel enviroment. If yes then please...

08 September 2019 4,127 2 View

From Where I can get the Wien2k Setup file(latest version) and How?

Need Wien2k setup.

03 April 2019 3,493 1 View

Is there any online service that perform calculation using Wien2k?

Wien2k server for calculation

06 March 2019 7,153 2 View