[Pw_forum] pw.x Error in routine cdiaghg S matrix not positive definite

[Vishal Gupta]

Hi,
I was running an SCF calculation from QE on High Performance Cluster using
20 processors  when it gave the following error:-
no-G vectors found.
I tried reducing the no of processors to 1 but then it gave the error:-
Error in routine cdiaghg S matrix not positive definite.
The input is :-
&CONTROL
                 calculation = 'scf' ,
                  pseudo_dir = '/home/vishalgupta/GB' ,
 /
 &SYSTEM
                       ibrav = 2,
                   celldm(1) = 3.52,
                         nat = 47,
                        ntyp = 1,
                     ecutwfc = 20 ,
 /
 &ELECTRONS
                 mixing_beta = 0.7 ,
             diagonalization = 'cg' ,
 /
ATOMIC_SPECIES
   Ni   58.69340  Ni.pz-hgh.UPF
ATOMIC_POSITIONS alat
   Ni     14.934095219    4.978031740   10.000000000
...
K_POINTS automatic
  6 6 6   0 0 0

Thank You
Vishal Gupta
B.Tech. 2nd year Mechanical
Indian Institute of Technology Ropar
Rupnagar (140001), Punjab, India.
Email :- vishal.gupta at iitrpr.ac.in
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