I am running the scf calculation but it takes too long, how can I make it faster while keeping accuracy?
I am doing graphene flake simulation. It has been a puzzle to me of why some atom configuration converge easier than the others, while it is only have 1 atom difference. For instance, 15 and 16...
03 August 2018 2,707 13 View
I am doing a graphene flake system and I am using Quantum ESPRESSO. And I must do some set of simulation variation. I was asked to find a stable configuration of graphene flake system (probably...
23 July 2018 9,646 2 View
I recently started to do simulation with QE, and I have gone through all browsing and other things. There are some ideas that I'm not sure about. Right now, I wanted to do simulation of edge...
06 April 2018 2,954 3 View
Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...
06 August 2024 4,953 0 View
Hello guys! Do you have experience running a Oaxaca-Blinder decomposition on R applying person weights. How do you suggest doing it? I have a variable PERWT which gives more information on how...
04 August 2024 6,033 0 View
I want a model that is balanced with accuracy or speed, faster rcnn has high accuracy while yolo have fast speed. i am thinking to combine them to get a hybrid model to achieve both speed and accuracy
02 August 2024 3,104 0 View
Hello Everyone I have a question about structure for connectivity analysis on sources. My goal: preprocess and cut data into trials create headmodels, using template MRI file perform source...
30 July 2024 2,744 1 View
When I run autogrid4 it says: autogrid4: ERROR: Unknown receptor type: "Cr" -- Add parameters for it to the parameter library first! Look forward to your reply.Thank you so much!
29 July 2024 488 0 View
I am trying to run a restart analysis, which imports deformed configurations of parts from a generated ODB file. It runs fine in Windows OS but when I try to run it in Linux OS, it is giving some...
29 July 2024 9,572 3 View
Our department has recently acquired an HPC (High-Performance Computing) system, and I'm thrilled to take my molecular dynamics calculations to the next level using Desmond. I used to run my...
28 July 2024 6,553 1 View
I am preparing to run a lot of samples on a 384 well plate and I wanted to test if any well in my PCR machine is dead so as not to lose any data. I would really appreciate help with how I can do...
24 July 2024 8,172 1 View
Dear all, I gave 116 respondents 18 translated sentences and asked them to indicate their levels of acceptance of these translations on a five-point scale. Some translations result from strategies...
24 July 2024 8,245 5 View
Hello, colleagues! There is commenting open for new upcoming edition of USP 1033. Validation target acceptance criteria is now different from what it used to be and it doesn't include Cpm....
23 July 2024 7,292 3 View