Question: What is the k-resolution for proper graphene modeling with ecutwfc of 80 in quantum espresso? What should the the size of the supercell that could

What is the k-resolution for proper graphene modeling with ecutwfc of 80 in quantum espresso? What should the the size of the supercell that could be modelled with Gamma-only with this resolution?

Step by Step Solution

★★★★★

3.45 Rating (152 Votes )

There are 3 Steps involved in it

1 Expert Approved Answer

Step: 1 Unlock

actually that depends on what your final reference state is if it is free atoms in a vapor this corresponds to the heat of vaporization usually called the cohesive energy you must calculate the spinpo... View full answer

Question Has Been Solved by an Expert!

Get step-by-step solutions from verified subject matter experts

Step: 2 Unlock

Step: 3 Unlock

Document Format (2 attachments)

636201c45871b_235222.pdf

180 KBs PDF File

636201c45871b_235222.docx

120 KBs Word File

Students Have Also Explored These Related Physics Questions!

In what ways is starting a data modeling project with a packaged data model different from starting a data modeling project with a clean sheet of paper?

In an inertial reference frame K there is only magnetic field with induction B = b (yi xj)/ (x2 + y2), where b is a constant, i and j are the unit vectors of the x and y axes. Find the electric...

In an inertial reference frame K there is only electric field of strength E = a (xi + yj)/(x2 + y2), where a is a constant, i and j are the unit vectors of the x and y axes. Find the magnetic...

Question 1 Fate Pty Ltd (Fate) has five shareholders: Jack, William, Michelle, Janet, and Marie. Jack, William and Marie own 90% of the shares and are also the directors of the company. Janet and...

A crystal growth furnace is used in research to determine how best to manufacture crystals used in electronic components for the space shuttle. For proper growth of the crystal, the temperature must...

Consider the following account of a veterinarian attempting to hire his first bookkeeper: Miss Harbottle, the prospective bookkeeper, paused at the desk, heaped high with incoming and outgoing bills...

a. Calculate (1) the ratio of exchange in market price and (2) the earnings per share (EPS) and price/earnings (PIE) ratio for each company on the basis of the data given in the table that...

Jessica James is considering a business ventureselling custom embroidered baseball caps from a pushcart kiosk at College Mall. The caps will be available in 12 different colors and one-size fits all....

True Cost Manufacturing, Inc., manufactures and sells large business equipment for the office and business markets. The primary function of Manufacturing is to provide components and subassemblies...

1. What is the difference between a forged indorsement and a missing indorsement in terms of the liability of the parties? 2. What advice would you give to those who cash checks from contractors to...

Use the Exercise 20 to prove parts (b) and (c) of Theorem 2. A line in the plane has an equation of the form Ax + By + C = 0, where A and B are not both zero. Use the method of Example 8 to show that...

Six months ago, Bulan Bintang Berhad (Bulan-Bintang) closed one of its five factories due to deteriorating market conditions. Bulan Bintang had announced that the company no longer employs all the...

Question 2 ( 1 5 Marks ) Considering the current public sector wage negotiations and the unions' demands for substantial salary increases, evaluate the grievance and dispute resolution procedures...

Write a paper on Baby Boomers and the Millenials

Question 1: Suppose that we have a process that produces two types of an item: Blue Item and Orange Item. Both of the items require the same pure sequential operations: 01, 02, 03. 01 and 03 are...

The synthesis of 2,3-diphenylquinoxaline proceeds as follows: the following procedure is performed: 1. Why after the ultrasound bath is the reaction mixture taken to an ice bath? for what purpose?....

The synthesis of benzoin proceeds as follows. and the following procedure is performed: A solution of sodium cyanide (1.1 g, 0.02 mol) in water (10 mL) was added to a stirred solution of benzaldehyde...

Artificial insemination is NOT commonly used on dairy farms. Group of answer choices True False

Describe the three major approaches to master data management.

The production manager at PVFC is concerned about support for purchased parts in products owned by customers. A simple analysis he wants done is to determine for each customer how many vendors are in...

What is the degree of a relationship? List the three types of relationship degrees described in the chapter and give an example of each.

a. Determine the HPR for each stock in each of the preceding 10 years. Find the expected return for each stock, using the approach specified by Molly. b. Use the HPRs and expected return calculated...

Briefly describe MRP II and closed- loop MRP.

What are some unforeseen costs of ERP?