UT theoretical chemistry code forum

Hi, I got the same problem. I have CHGCAR file for Aluminium bulk system. POSCAR file Al 4.05000000000000 0.4985804050614968 0.4985804050614968 0.0000000000000000 0.0000000000000000 0.4985804050614968 0.4985804050614968 0.4985804050614968 0.0000000000000000 0.4985804050614968 1 Direct 0.000000000000...

Hi all,

Could you please teach me how to get exactly the Fermi energy by Vasp? It's very important to analyse DOS near fermi level.
In OUTCAR file, I got:

E-fermi : -1.5807 XC(G=0): -2.7647 alpha+bet : -3.2108
add alpha+bet to get absolut eigen values

I see, Thank you.

For the second one, if you use ispin=2 in your vasp calculation, there'll be one column for the spin up DOS and one for the spin down in your DOS* file. It seems to be that the dosplot script plots spin up DOS only, is that right Wenjie? If it is true, is there any scipt to plot spin up and down DO...

I don't think that using a value of RWIGS set to the minimum distance between the Bader surfaces at the atoms makes physical sense. The problem with the RWIGS based analysis in vasp is that the volumes around each atom are spheres. These spheres do not tile to fill space, so that the sum of local c...

Dear Bader admin and users, I have problem with analyzing local magnetization of ferromagnetic clusters by VASP. I found the Bader program and this forum are useful, getting RWIGS from Bader I could analyse local charge. But never I have got the right value for magnetic moments if I set RWIGS in the...