JohnKendrick
I have had the same problem in a slightly different task. I have found a solution, but it may not work for your particular task: I have reduced the number of k-points.
I am modelling Mn5+ ion in a AlPO4 cell in which one P is replaced by Mn.
My input is
EXTERNAL
FREQCALC
ANALYSIS
INTENS
INTRAMAN
INTCPHF
END
END
BASISSET
POB-TZVP-REV2
DFT
WC1LYP
SPIN
END
EXCHSIZE
44000000
BIPOSIZE
44000000
SHRINK
6 6
TOLINTEG
9 9 9 12 20
MAXCYCLE
400
TOLDEE
10
SPINLOCK
2
-6
ATOMSPIN
1
10 1
SLOSHING
END
The same input with
SHRINK
8 8
Produced the same error as yours, regardless of convergence tools (DIIS / NODIIS (in CPHF block) / buffer sizes / etc):
ELECTRIC FIELD APPLIED ALONG CARTESIAN DIRECTIONS XX
[some lines omitted]
BECKE WEIGHT FUNCTION
RADSAFE = 2.00
TOLERANCES - DENSITY:10**- 6; POTENTIAL:10**- 9; GRID WGT:10**-14
RADIAL INTEGRATION - INTERVALS (POINTS,UPPER LIMIT): 1( 75, 4.0*R)
ANGULAR INTEGRATION - INTERVALS (ACCURACY LEVEL [N. POINTS] UPPER LIMIT):
1( 4[ 86] 0.2) 2( 8[ 194] 0.5) 3( 12[ 350] 0.9) 4( 16[ 974] 3.5)
5( 12[ 350]9999.0)
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 7695.33 TCPU 7664.63
forrtl: severe (67): input statement requires too much data, unit 81, file /scratch/tmp_p267436_student/fort.81.pe11
All running on a single machine: Dell EMC C6400 Server (2x20-Core Intel XEON Gold 6148 2.40GHz, 192GB RAM, 3x480GB SSD).