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@@manishtekam7929 Thank You 🤗

@@randommologytamil9061 You can analyse the trajectory of atoms or molecules and do more arithmetic also plotting and so many others things

@@randommologytamil9061 Yeah I will

@@ajaynimbalkar334 Yeah sure, but for this Gaussian is not an appropriate software VASP or SIESTA any other softwares you can see.

@@duafatima6283 Yes this way you can import the OH atom group and add this to a specific position. But you should have the XYZ file for OH and with proper bond lengths maintained in between O and H.

@@duafatima6283 This you can do using Boundary option from Objects extend the xmin and xmax then atoms will be added. Also sometimes during optimization the extra atoms started appearing outside of boundary this is also another way of atom addition.

@@Deepak.physicist I will see and get back to you

@@computational_physicist Thank you, FYI, the structure I have chosen is WP2, monoclinic structure from Materials project (ID: mp-11329).

@@Deepak.physicist Yes, I did the transform operation of the (2 0 1) plane of monoclinic P2W along (2 0 0) direction; for me, it is not compressed but rather the coordinate system is changed. For you, if its compressed, then you can elongate the direction to twice or thrice, meaning instead of (1 0 0) to (2 0 0) or (3 0 0). Like this, you can try to avoid the overlapping of atoms during the slab formation. I hope it helps Happy Computing 🤗

@@computational_physicist Thank you for quick reply. I wanted to make slab to study adsorpiton along z axis, by chaning (201) plane to be (001). I would try to make it into (003) and thank you once again. Happy computing 😇

@@binodregmi7386 Yes for (1 0 1) plane 1 unit along z-axis that is along (0 0 1) the matrix will be (-1 0 0 0 1 0 1 0 1) And for (-1 2 1) plane along the same (0 0 1) direction the matrix will be ( 1 1 0 0 1 0 1 -1 1). I have made along a particular direction you can make the matrix for any direction which will decide the orientation of the plane along that line. I hope it will help you. Rectify me if I am wrong. Happy Computing 🤗

@@SradhaAcharya Any purpose to get this information?

@computational_physicist no no this video is related with your birthday.so I ask

@@SradhaAcharya Ok

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Nice voice 👌

@@RahulChoudhary-pt4gf Thanks Rahul bro Ram Ram sa 🤗🙏

@@mohdatif6520 Yeah sure

@@mohdatif6520 Uploaded 😊

@@nandhiniphysics299 I will try to do this also... Thank you 😊

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