Hi Alex,
I encountered an issue while running the amset wave command, where the process was unexpectedly terminated without any error message. The output is as follows:
******* Getting wavefunction coefficients *******
Including bands 153—216
[1] 1969440 killed amset wave
My WAVECAR file has been successfully generated, with a size of 3.0 GB. I’ve tried running the command multiple times, but the issue persists. To help diagnose the problem, I’ve included my INCAR file below. I would greatly appreciate your assistance in resolving this issue. Thank you very much!
INCAR ：
SYSTEM = dos
ISTART = 0
ADDGRID = .TRUE.
LORBIT = 11
LSORBIT = T
#ICHARG = 11
NEDOS = 2001
LHFCALC = T #HSE06 calculation
HFSCREEN = 0.2
ALGO = Normal
TIME = 0.4
PRECFOCK= Fast
#AEXX = 0.15
#AGGAX = 0.85
PREC = Normal
LREAL = .FALSE.
IBRION = -1
ISIF = 2
IVDW = 11
VDW_S8 = 0.109
VDW_SR = 1.129
ISMEAR = -5
SIGMA = 0.05
NSW = 0
NELM = 60 (Max electronic SCF steps)
NELMIN = 6 (Min electronic SCF steps)
EDIFF = 1E-4
EDIFFG = -1E-2
ENCUT = 400
LWAVE = .T.
LCHARG = .T.
#NPAR = 4
NSIM = 2
LPLANE = .TRUE.
GGA = PE