10. Keyword Reference¶
10.1. Global keywords¶
- ALIGNBD not documented
- BANDOMIT not documented
- BLOECHL not documented
- BZ Section 4.1.2
- CHKMISM Section 4.2.10
- CHKOLAP Section 4.2.10
- CORES Section 5.2.4
- CORESOC Section 4.2.2
- CUTZERO not documented
- DELTAEX Section 4.2.6
- DIPOLE not documented
- ENERGY Section 4.2.5
- FIXPHASE Section 4.2.4
- GAUSS Section 5.2.7
- IBC not documented
- ITERATE Section 4.2.8
- JOB Section 4.1.1
- KPT Section 5.1.2
- KPTPATH Section 5.1.15
- MEM Section 4.1.4
- MPIKPT Section 7.2.1
- MPISPLIT Section 7.2.3
- MTACCUR Section 4.2.11
- NBAND Section 4.2.1
- NOSYM Section 4.2.9
- PLUSSOC Section 4.2.7
- PROJECT Section 4.2.3
- RESTART Section 4.1.7
- STOREBZ Section 4.1.5
- TIMING not documented
- TRSOFF not documented
- WRITE not documented
- WRTKPT Section 4.1.3
10.2. Sections¶
10.2.1. COULOMB¶
- CHKCOUL not documented
- LEXP not documented
- MULTIPOLE not documented
- NOSTORE not documented
- STEPRAD not documented
- TSTCOUL not documented
10.2.2. LAPW¶
- EPAR Section 6.1.3
- GCUT Section 6.1.1
- LCUT Section 6.1.2
- LO Section 6.1.4
10.2.3. MBASIS¶
- ADDBAS Section 6.2.7
- CHKPROD Section 6.2.8
- GCUT Section 6.2.1
- LCUT Section 6.2.2
- NOAPW Section 6.2.6
- OPTIMIZE Section 6.2.5
- SELECT Section 6.2.3
- TOL Section 6.2.4
- WFADJUST Section 6.2.9
10.2.4. SENERGY¶
- ALIGNVXC Section 5.1.11
- CONTINUE Section 5.1.6
- CONTOUR Section 5.1.7
- DIVLOG not documented
- FREQINT Section 5.1.8
- MESH Section 5.1.5
- MPIBLK Section 7.2.2
- MPISYM Section 7.2.4
- ORDER not documented
- SMOOTH Section 5.1.9
- SPECTRAL Section 5.1.3
- VXC Section 5.1.12
- ZERO Section 5.1.10
10.2.5. SUSCEP¶
- DISORDER Section 5.2.8
- FPADE not documented
- FSPEC obsolete, replaced by
HILBERT
- HILBERT Section 5.2.1
- HUBBARD Section 5.5.2
- MULTDIFF Section 5.2.2
- PLASMA Section 5.2.3
- TETRAF Section 5.2.5
- WGHTTHR Section 5.2.6
10.2.6. WANNIER¶
- BACKFOLD Section 6.3.8
- CUTGOLD not documented
- DISENTGL Section 5.5.4
- FROZEN Section 6.3.3
- INTERPOL Section 6.3.7
- IRREP Section 6.3.9
- MAXIMIZE Section 6.3.2
- ORBITALS Section 6.3.1
- PLOT Section 6.3.5
- RSITE Section 5.5.5
- SUBSET Section 6.3.4
- UREAD Section 6.3.10
- WBLOCH Section 5.5.6
- WSCALE not documented
10.2.7. WFPROD¶
- APPROXPW Section 6.2.11
- FFT Section 6.2.10
- LCUT Section 6.2.12
- MINCPW Section 6.2.13
- MPIMT not documented
- MPIPW not documented