Thanks for the reply! My replies keep getting flagged as spam… I guess because of the attachments! So I will just paste the input here.

First I run an SCF calculation to get converged density then an NSCF calculation to converge the wavefunctions. Then I do E-field and then phonon perturbations at Gamma (q=0,0,0). All 4 of these calculations run with no errors or warnings! See the input below:

###
general

ndtset 4

autoparal 1

###
file I/O

prtwf 0

prtden 1

getwfk 2

getden 1

###
pp’s

pp_dirpath “/home/ty/pseudo/abi/paw_lda_JTH”

pseudos “Ti.LDA_PW-JTH.xml,O.LDA_PW-JTH.xml”

###
lattice

ntypat 2

natom 6

typat 1 1 2 2 2 2

znucl 22 8

acell 4.588027812745 4.588027812745 3.003952434907 Angstrom

rprim 1.000000000000 0.000000000000 0.000000000000

0.000000000000 1.000000000000 0.000000000000

0.000000000000 0.000000000000 1.000000000000

xred 0.500000000000 0.500000000000 0.500000000000

0.000000000000 0.000000000000 0.000000000000

0.195467607839 0.804532392161 0.500000000000

0.804532392161 0.195467607839 0.500000000000

0.304532392161 0.304532392161 -0.000000000000

0.695467607839 0.695467607839 0.000000000000

###
scf control

pawxcdev 0

nstep 200

ecut 1000 eV

pawecutdg 1500 eV

occopt 7

tsmear 0.05 eV

tolvrs 1e-16

###
mixing

diemac 10.0

diemix 0.7

dielng 1.0

###
kpoints

ngkpt 4 4 6

nshiftk 1

shiftk 0 0 0

kptopt 3

###
DFT+U

usepawu 1

lpawu 2 1

upawu 8.00 6.00 eV

jpawu 0.00 0.00 eV

###
electrons

nband 36

nbdbuf 6

###
ffts

ngfft 48 48 32

ngfftdg 60 60 40

###
qpoints – 4x4x6 = 24 qpts

ngqpt 4 4 6

nshiftq 1

shiftq 0 0 0

qptopt 1

###
respfn

nqpt 1

rfasr 1

rfphon 1

rfatpol 1 6

rfdir 1 1 1

###
======== ground state ========

###
gs

kptopt1 1

prtwf1 1

getden1 0

getwfk1 0

rfphon1 0

nqpt1 0

###
tighten convergence on gs wfk

tolwfr2 1e-20

kptopt2 1

iscf2 -2

prtwf2 1

getwfk2 0

rfphon2 0

nqpt2 0

#
======== phonons ===========

###
d/dk at q == 0,0,0

tolwfr3 1e-20

iscf3 -3

prtwf3 1

rfelfd3 2

rfphon3 0

iqpt3 1

###
pert at q == 0,0,0

getddk4 -1

rfelfd4 3

iqpt4 1

Then I try to run an NSCF calculation at k+q followed by a phonon perturbation at q != 0,0,0. abinit reads the input file and when it reads dataset 2 (the phonon pertubation) it crashes with the error message. Here is the input (it reads GS density and wavefunctions from the Gamma calculation before):

###
general

ndtset 2

autoparal 1

###
file I/O

prtwf 0

prtden 1

getwfk_filepath “…/gamma/runo_DS2_WFK”

getden_filepath “…/gamma/runo_DS1_DEN”

###
pp’s

pp_dirpath “/home/ty/pseudo/abi/paw_lda_JTH”

pseudos “Ti.LDA_PW-JTH.xml,O.LDA_PW-JTH.xml”

###
lattice

ntypat 2

natom 6

typat 1 1 2 2 2 2

znucl 22 8

acell 4.588027812745 4.588027812745 3.003952434907 Angstrom

rprim 1.000000000000 0.000000000000 0.000000000000

0.000000000000 1.000000000000 0.000000000000

0.000000000000 0.000000000000 1.000000000000

xred 0.500000000000 0.500000000000 0.500000000000

0.000000000000 0.000000000000 0.000000000000

0.195467607839 0.804532392161 0.500000000000

0.804532392161 0.195467607839 0.500000000000

0.304532392161 0.304532392161 -0.000000000000

0.695467607839 0.695467607839 0.000000000000

###
scf control

pawxcdev 0

nstep 200

ecut 1000 eV

pawecutdg 1500 eV

occopt 7

tsmear 0.05 eV

tolvrs 1e-16

###
mixing

diemac 10.0

diemix 0.7

dielng 1.0

###
kpoints

ngkpt 4 4 6

nshiftk 1

shiftk 0 0 0

kptopt 3

###
DFT+U

usepawu 1

lpawu 2 1

upawu 8.00 6.00 eV

jpawu 0.00 0.00 eV

###
electrons

nband 36

nbdbuf 6

###
ffts

ngfft 48 48 32

ngfftdg 60 60 40

###
qpoints – 4x4x6 = 24 qpts

ngqpt 4 4 6

nshiftq 1

shiftq 0 0 0

qptopt 1

###
respfn

nqpt 1

rfphon 1

rfatpol 1 6

rfdir 1 1 1

#
======== phonons ===========

###
nscf at q != 0,0,0

tolwfr1 1e-20

iscf1 -2

prtwf1 1

rfphon1 0

iqpt1 2

###
pert at q != 0,0,0

getwfq2 -1

iqpt2 2

The *.abo reports the message:

…

chkinp: Checking input parameters for consistency, jdtset= 1.

chkinp: Checking input parameters for consistency, jdtset= 2.

chkdpr: ERROR -

Context : the value of the variable usepawu is 1.

The value of the input variable norm(qpt) is 6.250000000000E-02,

while it must be equal to 0.000000000000E+00.

Action: you should change the input variables norm(qpt) or usepawu.

Checking consistency of input data against itself revealed some problem(s).

So, stopping. The details of the problem(s) are given in the error file or the standard output file (= “log” file).

In parallel, the details might not even be printed there. Then, try running in sequential to see the details.