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Пікірлер
@shwetagaikwad4194
@shwetagaikwad4194 17 сағат бұрын
Excellent 🎉
@Sujatamane09
@Sujatamane09 7 күн бұрын
Excellent 🎉
@shrikantyadav9142
@shrikantyadav9142 7 күн бұрын
Very well Explained.. Communicate in Marathi Language also, so it will be very helpful to students...👍
@sandeshgaikwad8849
@sandeshgaikwad8849 7 күн бұрын
Yes, sir... Definitely, I will....
@SifaBagwan-j5e
@SifaBagwan-j5e 7 күн бұрын
Thank you sir..😊
@shwetagaikwad4194
@shwetagaikwad4194 7 күн бұрын
Great 🎉
@حنان.2025
@حنان.2025 19 күн бұрын
Hi, thank you for the video, but how can you save the code qe in Google colab???
@sandeshgaikwad8849
@sandeshgaikwad8849 18 күн бұрын
You can save the Quantum ESPRESSO (QE) code or input files on Google Drive. This is an automatic process if you sync Colab with your Drive. However, since Google Colab sessions are temporary, you'll need to reinstall Quantum ESPRESSO each time you start a new session.
@abhanan3337
@abhanan3337 22 күн бұрын
Thank you for your video. But the !apt-get install quantum espresso is not working for me. You have 49 nit upraged i think you shoud coorect that. in my case i have tried with many comande and normaly you shoud update the qe directory and then extract it to compile the executable file.
@sandeshgaikwad8849
@sandeshgaikwad8849 19 күн бұрын
Thank you for your concern! I'll look into it.
@shrikantyadav9142
@shrikantyadav9142 Ай бұрын
Very informative..
@altafhusain6535
@altafhusain6535 Ай бұрын
Sir, How can we select pseudopotentials and other parameters (e.g., conv_thr, electron_mix, etc.) based on our atomic system, research requirements, and computational cost? Please suggest books or other resources to help me create a valid input file that balances reliability and efficiency.
@sandeshgaikwad8849
@sandeshgaikwad8849 Ай бұрын
Pseudopotentials are chosen based on the material you are studying. There is no strict or universal rule for selecting them. However, it’s essential to ensure compatibility with the functional (e.g., PBE, LDA) used in your calculations. For convergence thresholds, a commonly used value is or tighter, depending on the accuracy requirements of your study. I suggest visiting the Quantum ESPRESSO (QE) website and referring to the documentation. It provides detailed explanations of each input card and parameter, which will help you create a well-balanced input file.
@pradnyapawar7650
@pradnyapawar7650 Ай бұрын
Great video sir
@altafhusain6535
@altafhusain6535 Ай бұрын
Sir, my system (Core i7, 4th generation, 12 GB RAM) using the mpirun -np 4 command cannot complete a vc-relax calculation for an 8-atom strained system within 30 hours. What can I do to resolve this issue? Please Sir
@sandeshgaikwad8849
@sandeshgaikwad8849 Ай бұрын
There might be many reasons 1. Tight convergence criteria (keep it reasonable) 2. High density of k grid 3. Wrong choice of pseudopotentials. (Verfy from literature)
@altafhusain6535
@altafhusain6535 Ай бұрын
@sandeshgaikwad8849 thanks you sir. Could you please review and correct my input file?
@sandeshgaikwad8849
@sandeshgaikwad8849 Ай бұрын
I will try My email id [email protected]
@habibatalibhussain1939
@habibatalibhussain1939 Ай бұрын
Sir kindly make a detailed video on Adsorption
@sandeshgaikwad8849
@sandeshgaikwad8849 Ай бұрын
Sure , I will 👍
@SaiyedTasnimMdFahim
@SaiyedTasnimMdFahim Ай бұрын
Can you show how to do an adsorption calculation for 3 layers of CaCO3 with (2x2) supercell slab on the (1 0 4) surface? And also how to determine transition states by neb calculation in this platform?
@sandeshgaikwad8849
@sandeshgaikwad8849 Ай бұрын
Yes, I will help, but I am uploading videos step-by-step for learning purposes, so it may take some time. If you are in urgent need, feel free to contact me at [email protected], and I will try my best to assist you.
@rajeshreekalal
@rajeshreekalal Ай бұрын
Very informative sir
@sandeshgaikwad8849
@sandeshgaikwad8849 Ай бұрын
Thanks and welcome
@hamzaze8624
@hamzaze8624 Ай бұрын
Hello ser thank you for your explication, can you ser learn as how we can creat structure of materials by python ?
@sandeshgaikwad8849
@sandeshgaikwad8849 Ай бұрын
Yes, I’m planning to make a video on how to create a crystal structure in Python using ASE very soon. Stay tuned!
@hamzaze8624
@hamzaze8624 Ай бұрын
@sandeshgaikwad8849 thank ser so mutch it's very important
@shwetagaikwad4194
@shwetagaikwad4194 Ай бұрын
Sir can you make vdo on how to make.cif file of crystal structure??
@sandeshgaikwad8849
@sandeshgaikwad8849 Ай бұрын
Sure
@shrikantyadav9142
@shrikantyadav9142 Ай бұрын
Very informative for DFT study..
@sandeshgaikwad8849
@sandeshgaikwad8849 Ай бұрын
Thanks and welcome
@sandeshgaikwad8849
@sandeshgaikwad8849 Ай бұрын
kzbin.info/www/bejne/hWHPZaZ6mrqoh8Usi=gQfFEnzY13XIpFOo
@pradnyapawar7650
@pradnyapawar7650 2 ай бұрын
Nice video sir
@shwetagaikwad4194
@shwetagaikwad4194 2 ай бұрын
🙏🏻
@shreyashjagtap5079
@shreyashjagtap5079 2 ай бұрын
Thank you sir for such a information
@userdead9420
@userdead9420 2 ай бұрын
🎉
@pratikshagaikwad4662
@pratikshagaikwad4662 2 ай бұрын
👍
@shwetagaikwad4194
@shwetagaikwad4194 2 ай бұрын
👍🏻
@Code_aur_Climb
@Code_aur_Climb 2 ай бұрын
🙏🙏
@pratikshagaikwad4662
@pratikshagaikwad4662 2 ай бұрын
👍👍
@shwetagaikwad4194
@shwetagaikwad4194 2 ай бұрын
👍🏻
@Code_aur_Climb
@Code_aur_Climb 2 ай бұрын
Great explanation sir👌
@shwetagaikwad4194
@shwetagaikwad4194 2 ай бұрын
👍🏻
@shwetagaikwad4194
@shwetagaikwad4194 2 ай бұрын
👍🏻
@akashpawar9316
@akashpawar9316 2 ай бұрын
Amazing vedio
@rajeshreekalal
@rajeshreekalal 3 ай бұрын
Informative sir
@pratikshagaikwad4662
@pratikshagaikwad4662 3 ай бұрын
Nice explanation
@shrikantyadav9142
@shrikantyadav9142 3 ай бұрын
Nice explanation..👌👌👍💐
@shrikantyadav9142
@shrikantyadav9142 3 ай бұрын
Very informative sir..👌👌💐💐👍
@shwetagaikwad4194
@shwetagaikwad4194 3 ай бұрын
🤘🏻
@rajeshreekalal
@rajeshreekalal 3 ай бұрын
Informative video
@shrikantyadav9142
@shrikantyadav9142 3 ай бұрын
Very Informative video Sir...
@shwetagaikwad4194
@shwetagaikwad4194 3 ай бұрын
🤘🏻
@jacklong513
@jacklong513 Жыл бұрын
Promo sm 😠
@sandeshgaikwad8849
@sandeshgaikwad8849 Жыл бұрын
😂 ok sir
@shrikantyadav9142
@shrikantyadav9142 Жыл бұрын
Please help me in to solve assignments in Python programming..
@shrikantyadav9142
@shrikantyadav9142 Жыл бұрын
I am learning Python with this course only.. 👍
@sandeshgaikwad8849
@sandeshgaikwad8849 Жыл бұрын
Great 👍
@shriniwasacharya107
@shriniwasacharya107 Жыл бұрын
Gr8 My bro❤
@shwetagaikwad4194
@shwetagaikwad4194 Жыл бұрын
is their any function to find the factorial of any number???
@rhugwedajage733
@rhugwedajage733 Жыл бұрын
Useful and easy to understand Thank you Sir.
@shwetagaikwad4194
@shwetagaikwad4194 Жыл бұрын
👍🏻
@shwetasatao8685
@shwetasatao8685 Жыл бұрын
👍🏻👍🏻
@shwetasatao8685
@shwetasatao8685 Жыл бұрын
👍🏻👍🏻
@nitakalugade5857
@nitakalugade5857 Жыл бұрын
Very nice information