Calculation of effective mass using emc?

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How to Optimize Nanotubes using VASP?

I wants to optimize MoS2 nanotubes, I am using ISIF =2 and changing POSCAR using Selective dynamic option ie (0.25 035 078 F F T). I am not relaxing the ions in x and y direction.Is it correct...

01 February 2017 2,260 0 View

How to calculate Deformation Potential using vasp?

Dear users I want to calculate deformation potential along high symmetry line e.g K-G.Please suggest proper way for calculations.

06 July 2016 8,993 0 View

Can you connect an HPLC to a Mass Spec only at a certain time point?

Can anyone explain this method? Especially the last statement where it says only at 1.5 to 2.5mins was the MS/MS connected to the UPLC. How is that possible, is it a feature in this specific...

11 August 2024 8,141 3 View

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

How to calculate CCS for Sodiated adduct ions and Multiply Charged Ions?

I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...

08 August 2024 8,329 0 View

Is it possible to plot the atom-projected band structure using GPAW?

Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...

07 August 2024 269 3 View

Where to find a gene list for CRISPRa/i library screening of regulatory factors that affect pathogenic Th17 differentiation in PBMC?

I want to perform a CRISPRa/i library screening for candidate regulatory factors that affect pathogenic Th17 differentiation in PBMC. But I am wondering how to define the size of gene library, so...

31 July 2024 2,150 0 View

Hello dear researchers. I would like to know what is a normalized mass in an EDX analysis?

EDX analisys

31 July 2024 5,947 2 View

Gas chromatography RT detection?

I am working on algal extract to which gas chromatography (Not GC-MS) spectrum I want to discover. My question is can we identify specific compounds using retention time if I compared the RT with...

29 July 2024 8,034 4 View

MAGeCK Plotting Error: Logarithmic Axis Must Have Positive Limits?

I have been running a MAGeCK test command on the terminal for a CRISPR screen to rank sgRNAs and genes based on the read count tables. However, I get only the plot of the top-ranked genes...

28 July 2024 9,811 1 View

Screening of EPS producer LAB?

if you have MRS broth already prepared, what is the manner you will follow for preparing hyper-sweet medium for screening of EPS producer LAB? what the concentration of saccharose or glucose you...

26 July 2024 6,606 0 View

Why Orca calculations take too loong?

Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...

25 July 2024 3,364 5 View