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General guidelines and programming advices for VASP developers and hackers are given here: Programming in VASP....

calculations. The symmetry of the primitive cell is in fact broken in several places in VASP: Local potential: In reciprocal space, the potential V(G) should be...

against fftlib (included in the VASP distribution). To do so, uncomment the corresponding sections in the makefile.include.*_omp files. In makefile.include.gnu_omp...

this to the VASP developers). Tag values with associated units are given here in Angstrom/eV, if not specified otherwise. Please refer to the VASP online manual...

3, and IN. Default: OFLAG_x=-Ox (for x=1, 2, 3), and OFLAG_IN=-O2 Default: INCS_x=$(INCS), for x=1, 2, 3, and IN. The objects to be compiled in accordance...

(STM) images. In VASP, the calculation of partial charges is a quick post-processing step that is selected by setting LPARD = .TRUE. in the INCAR file...

blocked-Davidson iteration scheme). This algorithm is the default in VASP.4.6 and VASP.5.X. It optimizes a subset of NSIM bands simultaneously. The optimized...

continues in a seamless manner. All of this is done by the script run provided with this example: #!/bin/bash runvasp="mpirun -np 8 executable_path/vasp_gam"...

specifying that the code is in free format -ffree-form. In earlier versions of VASP you can add this flag to the CPP rule in the makefile.include. Thanks...

file it is possible to stop VASP during the program execution. If the STOPCAR file contains the line LSTOP = .TRUE. then VASP stops at the next ionic step...

a sufficiently large super cell is used in this example, it is ok in this case to use only a single k-point in the calculations. Hence it is also possible...

ones): VDW_RADIUS=50.2 : cutoff radius (in Å {\displaystyle \mathrm {\AA} } ) for pair interactions considered in the equation of E d i s p {\displaystyle...

compensation charge density in the VASP program have been published elsewhere. The compensation charge density is written in the form of a one-center multipole...

magnetic groundstate using VASP. Unfortunately convergence to the symmetry broken spin polarized groundstate can be relatively slow in VASP. The following INCAR...

debugging in vasp following line can be added: FFLAGS+=-g OFLAG_IN (default: -O2) In the vast majority of makefiles this variable is set: OFLAG_IN=$(OFLAG)...

In the most recent version of VASP, profiling routines were added to all important routines in VASP. Using profiling will print at the end of the OUTCAR...

are some parallelization options for specific algorithms in VASP, e.g., NOMEGAPAR. In summary, VASP parallelizes with total ranks = ranks parallelizing bands...

available in VASP. For instance, the GW method, random-phase approximation, 2nd-order Møller-Plesset, Bethe-Salpeter equations, and more. In VASP, central...