problem of Non-collinear calculations and spin orbit coupling calculations
Posted: Mon Oct 11, 2010 2:17 pm
When I try to calculate the non-collinear calculations and spin orbit coupling of Bismuth, according the VASP guide,
Firstly, calculate the non magnetic ground state and generate a WAVECAR and CHCAR.
Secondly, read the WAVECAR and CHGCAR file, the Non-collinear calculations and spin orbit coupling are calculated.
But the non-collinear calculations and spin orbit coupling can not be calculated. And the error massage is listed,
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...( 1 )
reading WAVECAR
ERROR: while reading WAVECAR, plane wave coefficients changed 2060 1007
How to calculate the non-collinear calculations and spin orbit coupling using version 5.1 or 5.2 of VASP?
<span class='smallblacktext'>[ Edited ]</span>
Firstly, calculate the non magnetic ground state and generate a WAVECAR and CHCAR.
Secondly, read the WAVECAR and CHGCAR file, the Non-collinear calculations and spin orbit coupling are calculated.
But the non-collinear calculations and spin orbit coupling can not be calculated. And the error massage is listed,
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...( 1 )
reading WAVECAR
ERROR: while reading WAVECAR, plane wave coefficients changed 2060 1007
How to calculate the non-collinear calculations and spin orbit coupling using version 5.1 or 5.2 of VASP?
<span class='smallblacktext'>[ Edited ]</span>