How to interpret ph.out file in quantum espresso?

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How to downsize a large pre-trained CNN model to a smaller size without losing performance?

I want to create/build a smaller size CNN model that can mimic the larger one.

31 January 2023 4,437 6 View

What should be the typical yield of cDNA after following RT PCR in ARCTIC protocol for sars cov 2 sequencing by nanopore ?

OXFORD NANOPORE USERS FOR SARS COV 2 SEQ

04 December 2021 2,083 2 View

What are the advantage of using Mn3O4 etc. as an insulating layer in Resistive Switching Memory Devices (RRAM) ?

RRAM device consists M-I-M (Metal - Insulator - Metal) structure and in most of the RRAM device insulating layer plays important role in resistive switching between HRS (High Resistance state) and...

14 May 2021 9,874 4 View

Please share some research papers on the synthesis of Mn3O4 nanoparticles via Hydrothermal method by using Manganese(II) nitrate hydrate?

I am looking for synthesis of Mn3O4 nanoparticles via hydrothermal method by using Manganese(II) nitrate hydrate ( Mn(NO3)2 ·4H2O ) as a Precursor. Share me some research papers Thanks.

05 January 2021 9,317 4 View

Why isn't UV Laser based PCB manufacturing more mainstream yet?

While feeling the shared pain of costly and slow PCB Manufacturing process. Which also makes the hardware creativity and education much costly and slow. I was trying to figure out how can we...

14 December 2020 1,799 1 View

What is the role of Thermal Activation Energy (Ea) in the conduction mechanism of High Resistance State of Resistive Switching Memory Device (RRAM)?

The temperature dependence of the resistance (R-T) measurement of High Resistance State (HRS) gives the thermal activation energy (Ea) using Arrhenius equation as given below R=R0exp(Ea/KBT) So,...

16 September 2020 3,188 6 View

How to calculate the Tolerance Factor (t) for Tetragonal Spinel Mn3O4 ?

I want to calculate the tolerance factor of tetragonal spinel Mn3O4. Most of the researcher follow Gold- schmidt tolerance factor (t) formula for Perovskite not for spinel materials. Please...

26 June 2020 1,486 5 View

Can High or Low Blood Pressure (B.P.) be considered as a one of the primary symptoms of Covid19 disease ?

Researchers and WHO have confirmed the many symptoms of suffering from corona virus. Some medical experts report that high blood pressure increases the risk of dying from covid19. Can corona virus...

12 June 2020 2,603 15 View

What is the effect of Spinel Nanoparticles and its magnetic, electrical, optical or other properties on Corona virus (COVID-19)?

As we know that some researcher are suggesting the diffusion of corona virus by nanomaterials. it may be that corona virus can be deactivated by spinel [AB2O4] nanoparticles. i want know some...

16 April 2020 7,550 6 View

How to calculate work function of an interface in SIESTA using MacroAve?

I am trying to compute work function of various interfaces using SIESTA. I am not being able to determine the limits of the step (filter) function, required for the inputs of MacroAve. Also,...

28 November 2019 7,735 0 View

How to understand this crystallographic phenomenon of low temperature crystals in zeolite?

During low-temperature testing, new diffraction peaks that appear could be indicative of several phenomena. In one of our tests, we observed notable new peaks around 40° and 45° in a specific...

06 August 2024 726 3 View

How to use Density Functional Theory to calculate carrier mobilities of solid system?

Hello, everyone. I have tried to determine carrier motilities of some materials, by Density Functional Theory, using Quantum ESPRESSO. There are a few methods to do it, like a package called...

04 August 2024 8,894 1 View

How to draw the five chelate rings of [Co(EDTA)]- on this picture?

Is this circle one of the rings?

03 August 2024 5,988 0 View

Why Powder XRD is performed after cruhsing a crystal if Single Crystal XRD analysis of the same crystal has been performed already ?

What information we can get from PXRD analysis other than from SCXRD analysis of a crystal ?

30 July 2024 6,261 4 View

How to make overlapping p-h diagram in EES?

I want to draw ph diagram using Engineering equation solver EES for refrigerant R134a and R1234fy and some other. I don't know how to draw the multiple ph diagram on same dome or overlapping to...

30 July 2024 647 7 View

How to know the b axis of a single crystal?

How to apply magnetic field parallel to b axis of any crystal

29 July 2024 4,083 2 View

How can I use DFT-D3 correction ( Siesta version 5.0.1)?

Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...

27 July 2024 5,748 0 View

I am trying to find phonon, and when i run calculations, there is error ?

how to fix this error, from phq_readin : error # 1 DFPT with the Blochl correction is not implemented I am attaching my ph.in file.

23 July 2024 4,649 2 View

MDCI module in Orca software?

Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...

21 July 2024 1,632 0 View

How can I calculate spin texture using Quantum Espresso for non-colinear case ?

I want to calculate the spin texture for the electronic band structure obtained from SOC calculation. Is there any way for calculation of spin texture using quantum espresso??

19 July 2024 8,571 1 View