Hello! I am a student and I am new to using VASP. My question is when performing DFT, is it possible to export the effective potential (Veff(r)) to be able to use this for calculations in MATLAB or via C code? And if this is possible, is there a way to then import results, such as a solved wave equation back into the DFT for calculating the Total Energy, eigenvalues, etc.? Any help would be greatly appreciated. I am new to VASP and these sorts of calculations so any help is greatly appreciated. Thank you!
Setting LVTOT=.TRUE. in INCAR allows you to export the local potential V(r) into an output file, called LOCPOT. See here for more information: https://www.vasp.at/wiki/index.php/LOCPOT
Setting LWAVE=.TRUE. (default setting), gives you the option to save the wave function into WAVECAR. In your next calculation, if ISTART=1, then the program restarts the calculation from this wave function. See here: https://www.vasp.at/wiki/index.php/ISTART
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