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[<vaskarpour@yahoo.com>]

Dear abinit users,

I have optimized (at zero pressure) the triclinic cell in the file below using
GGA/PBE pseudopotentials.  However, when I apply a pressure of 10GPa to the
converged data, the lattice parameters and the volume keep increasing with 
each
Broyden step until the run stops with an error message asking me to increase
dilatmx (usually this is due to bad input lattice parameters, but lowering the
acell values does not help). This error occurs even if the strtarget is only
1GPa. Can this error occur because strtarget is a symmetric matrix but the
rprim is not?
I welcome any suggestions or hints.

Thanks,

Vahid

Vahid Askarpour
Dalhousie University,
Halifax, NS, Canada

optcell 2
ionmov  2
ntime   100
dilatmx 1.2
ecutsm  0.5
kptopt 1          
nshiftk 1
shiftk  0.5 0.5 0.5  
ngkpt   4 4 4
nstep 100    
toldff 5.0d-6
diemac 12 
acell  1.5982166823E+01  2.2574701588E+01  1.5877524714E+01 
angdeg  90.00  89.98  45.18
strtarget 3.3989d-4 3.3989d-4 3.3989d-4 0 0 0
strprecon 0.1
strfact   100
ntypat  2   
znucl 1 53  
natom 16          
typat  1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2  
xcart     5.2789759836E+00  1.3873258360E+00  1.8122003932E+01
              4.0777974016E-01 -1.8636312401E+00  1.8145708200E+01
              1.9971806101E+00  6.2544357973E+00  1.8160224356E+01
             -2.8465878874E+00  2.9868840816E+00  1.8165799855E+01
              4.3516670737E+00  2.2014124412E+00  1.0197709596E+01
              9.1952962180E+00  5.4690116409E+00  1.0189952760E+01
              5.9408952033E+00  1.0319013175E+01  1.0212484138E+01
              1.0699855971E+00  7.0691861142E+00  1.0233486481E+01
             -2.7280551954E+00 -1.9351617833E+00  1.8154663922E+01
              5.3556168486E+00 -1.7480977031E+00  1.8109183846E+01
              5.1358591841E+00  6.3350137888E+00  1.8155935961E+01
             -2.9277155210E+00  6.1257480651E+00  1.8169571282E+01
              1.2129649071E+00  2.1227841094E+00  1.0202648261E+01
              9.2753540349E+00  2.3303689459E+00  1.0185431498E+01
              9.0765434282E+00  1.0392135358E+01  1.0204413627E+01
              9.9156277398E-01  1.0204571422E+01  1.0245825277E+01
ecut 15.0   
iscf 7
npulayit 15