# Inspired from v9[141]
# AlP solid

ndtset 6
#ndtset 3
#jdtset 2 3 4

#npband 4

cprj_in_memory1 0
cprj_in_memory2 1
cprj_in_memory3 0
cprj_in_memory4 1

cprj_in_memory5 1
cprj_in_memory6 1

wfoptalg1 114
wfoptalg2 114
wfoptalg3 111
wfoptalg4 111

wfoptalg5 111
wfoptalg6 111

nblock_lobpcg1 4
nblock_lobpcg2 4

# unconverged
ecut 5
pawecutdg 10

nstep 15
nline  8
mdeg_filter 8

# bands and spinors
nband  16
nbdbuf  8
nspinor 2

tolvrs 1.0D-20

kptopt 3

# severely unconverged
ngkpt 3*2
nshiftk 1
shiftk 3*0

istwfk *1

optforces 1
optstress 1

optforces5 2

optforces6 2
optstress6 0

prtwf 0
prteig 0
prtden 0

# change cell parameter to increase the stress tensor
#acell    3*10.3008969711
acell    3*10

rprim    0.000000000000000   0.500000000000000   0.500000000000000
         0.500000000000000   0.000000000000000   0.500000000000000
         0.500000000000000   0.500000000000000   0.000000000000000

natom    2
ntypat   2
typat    1 2
znucl    15 13
# change atomic positions in order to have non-zero forces (so we can test them)
xred     0.240000000000000   0.255000000000000   0.249000000000000
         0.000000000000000   0.000000000000000   0.000000000000000
#xred     0.250000000000000   0.250000000000000   0.250000000000000
#         0.000000000000000   0.000000000000000   0.000000000000000

pp_dirpath="$ABI_PSPDIR/Psdj_paw_pbe_std/"
pseudos="P.xml, Al.xml"

##############################################################
# This section is used only for regression testing of ABINIT #
##############################################################
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% need_cpp_vars = HAVE_FFTW3 or HAVE_DFTI
#%% [files]
#%% files_to_test =
#%%   t12.abo, tolnlines=  0, tolabs=  0, tolrel= 0, fld_options = -ridiculous
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = L. Baguet
#%% keywords = PAW,CPRJ
#%% description = Compare cprj_in_memory=1 with cprj_in_memory=0 (lobpcg2 and chebfi2). PAW,nspinor=2
#%%<END TEST_INFO>