“ADC(3) singlet and triplet excited states with PCM – input and disk quota issues”

Questions
#1

This is the error i get i tried and tried to change the memory every thing but its showing same exported envs: QC QCAUX QCSCRATCH QCRUNNAME QCFILEPREF QCPROG QCPROG_S GUIFILE
Cannot open the file EST_adc.in_18512.0
Error in Q-Chem run part 1
rm: cannot remove ‘EST_adc.in_18512.0’: No such file or directory
rm: write error: Disk quota exceeded
cp: cannot fstat ‘EST_adc.in’: Disk quota exceeded
cp: failed to close ‘EST_adc.in’: Disk quota exceeded
cp: cannot fstat ‘EST_adc.out’: Disk quota exceeded
cp: failed to close ‘EST_adc.out’: Disk quota exceeded
my latest tried input file is this
$rem
JOBTYPE SP
METHOD adc(3)
BASIS def2-TZVP
SYM_IGNORE TRUE
CIS_N_ROOTS 4 ! request 2 singlet excitations
CIS_SINGLETS TRUE
CIS_TRIPLETS TRUE
STATE_ANALYSIS TRUE
NTO_PAIRS 2
SOLVENT_METHOD pcm
MEM_TOTAL 120000
CC_MEMORY 100000
ADC_PROP_TPA True
n_frozen_core fc
GUI 2
$end

$solvent
Dielectric 8.9
$end

1- I want to compute both singlet and triplet excited states using ADC(3) with PCM solvent. Should I use ADC_N_ROOTS, ADC_SINGLET, and ADC_TRIPLET, or are the older CIS_* keywords still valid?
2- My ADC(3) jobs fail with “Disk quota exceeded.” How much disk space should I expect for adc(3)/def2-TZVP with ~50–60 atoms and ~4–6 excited states?
3- Does RI-ADC(3) (with RI_APPROX TRUE and AUX_BASIS RIJK-def2-TZVP) reduce disk usage significantly in Q-Chem 6.3, or is RI available only for ADC(2)?
4- For singlet–triplet gap prediction, is ADC(3) more reliable than EOM-CCSD in Q-Chem 6.3? Which method is recommended for medium-sized organic molecules?
5- Sometimes my SCF stalls before the ADC step. Are there recommended SCF convergence settings (SCF_ALGORITHM, SCF_GUESS, etc.) for difficult systems before running ADC(3)?

EOM-CCSD job FOR SINGLET TRIPLET STATE in Q-Chem stuck during SCF convergence
#2

we would need a full input file to diagnose this. A few responses:

  1. Please see ADC(3) sample jobs in the manual.
  2. This feels large to me. You should always try with a small basis set first, to make sure that everything is set up correctly and that the job runs.
  3. Consult the literature.
  4. I don’t know what you mean that the SCF “stalls” but check the output for suggestions about the value of THRESH and S2THRESH, which sometimes need to be tightened for medium-size molecules.