LPARD=.TRUE. not working
Posted: Fri May 19, 2023 7:08 am
Dear all,
since VASP 6.4.0 the partial charge density mode of VASP seems to be broken.
For example, this INCAR used to work until VASP 6.3.2:
I get the following error:
I've tried different systems and both VASP 6.4.0 and VASP 6.4.1, it's always the same error.
The error occurs every time one sets LPARD=.TRUE., irrelevant how the other tags are set.
Please find attached a small example.
Best wishes
since VASP 6.4.0 the partial charge density mode of VASP seems to be broken.
For example, this INCAR used to work until VASP 6.3.2:
Code: Select all
LPARD = .TRUE.
NBMOD = -3
EINT = -0.4 0.0
Code: Select all
Calculating partial charge density.
-----------------------------------------------------------------------------
| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| Can't open input file INCAR |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------
The error occurs every time one sets LPARD=.TRUE., irrelevant how the other tags are set.
Please find attached a small example.
Best wishes