NPL!=nplane in a semi-metal calculation

[high-velocity-rotating-pigeon]

slurm output file like *ni error - computed NPL= 11572 != input nplane= 11664 *ni error - computed NPL= 11664 != input nplane= 11756 *ni error - computed NPL= 11650 != input nplane= 11756 *ni error - computed NPL= 11554 != input nplane= 11664 *ni error - computed NPL= 11554 != input nplane= 11664 *ni error - computed NPL= 11650 != input nplane= 11756 *ni error - computed NPL= 11562 != input nplane= 11672 *nj error - computed NPL= 11650 != input nplane= 11756

and vaspberry output file like Start at: 24/03/11 17:37:01 THIS IS ROOT: 0

VASPBERRY (Ver 1.0), by Hyun-Jung Kim. 2018. Aug. 23.

#This program calculates (1)berry curvature omega(k) #for closed loop C on a small patches in k-space, #and (2) degree of optical selectivity between #two bands specified.

#!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #! Copyright 2015. Hyun-Jung Kim All rights reserved.! #! ([email protected]) ! #! Hanyang Univ. 2015.Apr.05. ! #!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

#*Ref1: T. Fukui, Y. Hatsugai, and H. Suzuki,

J. J. Phys. Soc. Jap. 74, 1674 (2005),

'Chern Numbers in Discretized Brillouin Zone:

Efficient Method of Computing (Spin) Hall Conductances'

#*Ref2: R. Resta, J. Phys.: Condens. Matter. 12, R107 (2000)

'Menifestations of Berry's phase in molecules

and condensed matter'

#*Ref3: W. Yao, D. Xiao, and Q. Niu, PRB 77, 235406 (2008)

'Valley-dependent optoelectronics from inversion

symmetry breaking'

#*Ref4: http://www.andrew.cmu.edu/user/feenstra/wavetrans/

R. M. Feenstra and M. Widom

some routines has been adopted from WAVETRANS

#* routines for Wavefunction reading and G

matching

#*Syntax:

berry -f file -kx nx -ky ny -s 2 -ii ni -if nf

#* (or)berry -f file -kx nx -ky ny -s 2 -is n

#*For the detailed help: ./berry -h

File reading... : WAVECAR

TOTAL RECORD LENGTH = 94320

NELECT : 38

ISPIN : 1 (LSORBIT =.TRUE.)

ENCUT (eV) : 600.0000

NKPOINT : 144

K-GRID : 12 X 12

NBANDS : 48

LATTVEC A1 : 2.847611 0.000000 0.000000

LATTVEC A2 : -1.423806 2.466104 0.000000

LATTVEC A3 : 0.000000 0.000000 25.000000

RECIVEC B1 : 2.206476 1.273909 0.000000

RECIVEC B2 : 0.000000 2.547819 0.000000

RECIVEC B3 : 0.000000 0.000000 0.251327

dk^2 = |dk1xk2| = 0.039040

NPMAX : 12566

NB1MAX : 6

NB2MAX : 6

NB3MAX : 50

#IK= 141 NK= 1.00 P(detS)= -58.26333948+ -0.00016313i KLP= 17 18 30 29 17 WK= -0.3333 -0.0833 0.0000 WKC= -0.3750 -0.1250 0.0000 STRM= 0 S(detS)= -58.26333948+ 6.28302218i #IK= 121 NK= 0.00 P(detS)= -61.93789108+ 0.00090936i KLP= 25 26 38 37 25 WK= 0.0000 -0.1667 0.0000 WKC= -0.0417 -0.2083 0.0000 STRM= 0 S(detS)= -61.93789108+ 0.00090936i #IK= 137 NK=-0.00 P(detS)= -66.12938982+ 0.00529022i KLP= 21 22 34 33 21 WK= 0.3333 -0.0833 0.0000 WKC= 0.2917 -0.1250 0.0000 STRM= 0 S(detS)= -66.12938982+ 0.00529022i #IK= 117 NK=-1.00 P(detS)= -58.98571593+ -0.01025133i KLP= 41 42 54 53 41 WK= -0.3333 -0.2500 0.0000 WKC= -0.3750 -0.2917 0.0000 STRM= 0 S(detS)= -58.98571593+ -6.29343664i #IK= 129 NK=-0.00 P(detS)= -60.27921109+ 0.00974182i KLP= 29 30 42 41 29 WK= -0.3333 -0.1667 0.0000 WKC= -0.3750 -0.2083 0.0000 STRM= 0 S(detS)= -60.27921109+ 0.00974182i #IK= 109 NK=-0.00 P(detS)= -66.40438247+ 0.00014020i KLP= 37 38 50 49 37 WK= 0.0000 -0.2500 0.0000 WKC= -0.0417 -0.2917 0.0000 STRM= 0 S(detS)= -66.40438247+ 0.00014020i #IK= 125 NK=-1.00 P(detS)= -63.18862288+ -0.00026963i KLP= 33 34 46 45 33 WK= 0.3333 -0.1667 0.0000 WKC= 0.2917 -0.2083 0.0000 STRM= 0 S(detS)= -63.18862288+ -6.28345494i #IK= 9 NK=-0.00 P(detS)= -58.60145071+ 0.00009190i KLP= 5 6 18 17 5 WK= -0.3333 0.0000 0.0000 WKC= -0.3750 -0.0417 0.0000 STRM= 0 S(detS)= -58.60145071+ 0.00009190i

...........

#IK= 20 NK= 0.00 P(detS)= -180.06075223+ -2.91531087i KLP= 20 19 7 6 20 WK= -0.4167 0.0833 0.0000 WKC= -0.4583 0.0417 0.0000 STRM= 1 S(detS)= -180.06075223+ -2.91531087i #IK= 36 NK=-0.00 P(detS)= -60.52260591+ 0.00136868i KLP= 36 35 23 24 36 WK= -0.0833 0.1667 0.0000 WKC= -0.1250 0.1250 0.0000 STRM= 0 S(detS)= -60.52260591+ 0.00136868i #IK= 16 NK=-0.00 P(detS)= -59.91682941+ -0.00000138i KLP= 16 15 3 4 16 WK= 0.2500 0.0833 0.0000 WKC= 0.2083 0.0417 0.0000 STRM= 0 S(detS)= -59.91682941+ -0.00000138i Stop at: 24/03/11 17:38:03