Reason for "reading bands namelist error" in band structure calculation in quantum espresso?

At first, I did the scf run then nscf run followed by another run with calculation set to "bands'. And finally, using command bands.x < example.in > example.out to post-process the data, I...

10 February 2021 7,970 2 View

How could be improved the farmers' farm income in reality point of view as well as double the farm income?

At present central government making the policy and forecasting for doubling the farmers' income, and on the other hand here working a no of research institutions in India and abroad for long time...

09 November 2020 1,025 12 View

Can anyone help me on how to functionalize carbon nanotube using Avogadro software or any other software?

How to add a functional group to modify a carbon nanotube and then conjugate it with anticancer drugs to develop a drug-delivery system computationally?

18 October 2020 8,847 2 View

How mesh size, time steps, time step size optimization and addressing of reverse flow occurrence is done in 2D analysis in Fluent?

The study is focused on pressure and velocity variation in u/s and d/s of a weir across river. The weir is 14.6 m length from u/s to d/s and 9.0 m height. I have taken domain size of total length...

14 September 2020 2,269 3 View

MAb detecting two viral proteins?

Hi, What are the chances that the developed MAb can detect two viral proteins simultaneously? The MAbs were raised against purified viral particles. During the characterization studies, some...

28 May 2020 4,061 1 View

How should we start our Dental Practice after lockdown because of COVID 19 ?

Dentistry being the one of the high risk profession for the COVID 19 outbreak transmission. For now we are in the lockdown period and only providing the Emergency dental treatment services with...

23 April 2020 5,155 35 View

Can anyone suggest me the best suited shape for quantum well based LED device?

Among different shapes of well, which is the most suited well in terms of efficiency

18 September 2019 7,798 1 View

Could research community help me to sort out the problem related with structural equation model(SEM)?

I am trying to examine the impact of cognitive and psychological factors, socio-demographic factors, Experimental processing factors and socio-cultural and institutional factors on farmers risk...

14 May 2019 4,341 1 View

How reasonable is it to apply Trouton's rule to melting?

Trouton's rule says that entropy of vaporisation is almost same (85 J/ (K.mol)) for lot of liquids near melting point. This usually works out as the entropy of gas is much higher than that of...

10 March 2019 1,669 10 View

Why an unexpected single band in SDS-PAGE of purified IgG from ascitic fluid using AbFRONTIER Protein G Sepharose Fast Flow column?

I have tried to purify the IgG from mouse ascitic fluid using Abfrontier Protein G Sepharose fast flow column according to manufacture's protocol. The nanodrop reading is showing concentration of...

14 May 2018 3,673 7 View

Is there any rich, publicly available English literary corpus?

Hi everyone. I am looking for a rich corpus in English literature, a one which includes literary prose ( e.g., novels or short stories) . can anyone propose a good one? Best regards Fatemeh

01 March 2021 1,970 2 View

Can we distinguish the type of free fluid inside the pelvic and abdominal cavities whether blood or serous fluid using the ultrasound?

during ultrasound examination of acute abdomen, sometimes we see free fluid , can we know the type of fluid ,whether blood or not , using ultrasound only? if yes , what are the sonographic...

01 March 2021 7,476 4 View

Can anyone help me with the administration of the "Mind the Gap" Scale for satisfaction with transition to adult care?

We are working on a study focused on adolescents' transition to adult care and are looking for a validated measure for satisfaction with the transition. So far the only measure that we have came...

28 February 2021 2,338 1 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

Centrality measures computation in Biblioshiny/ Vosviewer?

26 February 2021 7,279 2 View

Is there an open source free software for text mining and sentiment analysis?

I am looking for a free software for text mining and sentiment analysis for my research on customer review mining (it involves calculating polarity of attributes,opinion oriented information...

25 February 2021 1,920 6 View

Which are the journals for free paper publication?

A bunch of flower for everybody. I would like to ask about the list of journals which we can publish our paper for free. Thanks in advance. Sincerely Walid

25 February 2021 9,790 3 View

Suggestions for occupational stress surveys?

I am currently writing a masters thesis on reasons for occupational stress in the early childhood classroom, and want to include a short survey assessing participants work-related stress levels. I...

24 February 2021 8,678 2 View

RNA-seq DEGs downstream analysis and reporting in literature?

I used EdgeR to get the list of DEGs (differentially expressed genes) from my liver RNA-seq experiment. I have done the gene overrepresentation and GSEA based pathway analysis. I am currently...

23 February 2021 8,969 1 View

Is it efficient to do liquid biopsy to investigate the gene expressions of the tumor?

To do liquid biopsy and look for specific gene expressions there are so many published papers. Thera are different protocols and procedures used to isolate circulating cell free RNA or mRNA from...

23 February 2021 7,326 5 View