#vdW-DF optB86b
LUSE_VDW = .TRUE.
AGGAC = 0.0000
GGA = MK
PARAM1 = 0.1234
PARAM2 = 1.0000
输出结果“ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): |
| |
| You enforced a specific xc-type in the INCAR file, |
| a different type was found on the POTCAR file |
| I HOPE YOU KNOW, WHAT YOU ARE DOING |
| |
-----------------------------------------------------------------------------
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...( 1 )
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
table not legible, calculating kernel”。请问这是为什么呢？
回复此楼
2026国自然函评费到账
+7
40+4