[Smeagol-discuss] for error in H1 matrix

[김명자]

Dear folks

Does anyone have experience like this error message?

What is the condition number of the "H1" matrix?

Best wishes,

Joonho





* Maximum dynamic memory allocated =     3 MB

siesta:                 ===============================
SMEAGOL                 Bias step =    0, V =  0.000 Ry
                            Begin CG move =      0
                        ===============================

InitMesh: MESH =    72 x    72 x   240 =     1244160
InitMesh: Mesh cutoff (required, used) =   180.000   195.510 Ry

* Maximum dynamic memory allocated =   124 MB
gensvd: Leads decimation
gensvd: Dim of H1 and S1 :     32
gensvd: Rank of H1:             2
gensvd: Rank of (H1,S1):        6
gensvd: Decimated states:      24
gensvd: Decimation from the right
gensvd: Leads decimation
gensvd: Dim of H1 and S1 :     32
gensvd: Rank of H1:             2
gensvd: Rank of (H1,S1):        6
gensvd: Decimated states:      24
gensvd: Decimation from the right
           8           9           9
 (3.48733434912626,-1.576104821674033E-032) final
 (-1747.58310064290,-1.189585587167939E-014)
 (-455.332041441069,1.255826935932932E-013)
(167.182139557154,379.434979978534)
 (167.182139557154,-379.434979978533)
(381.609038170988,1.015623063478173E-034)
 (-59.3289278794663,-4.932691487474435E-032)
 (29.3940873983586,-2.238656040886106E-026)
 (-7.44465331816192,-6.641105713174310E-034)
 (3.48733434912626,-1.576104821674033E-032)
 (0.344116611181274,-1.157308559633243E-022)
 (-0.356694324889037,-7.969416444351215E-022)
 (1.016136150793805E-002,-6.082850634004807E-023)
 (-7.928860056924909E-003,-3.150203658238540E-021)
 (6.335941025182927E-005,6.810373612555101E-021)
 (-1.947439673186178E-005,-1.720374725608583E-005)
 (-1.947439673186180E-005,1.720374725608583E-005)
 The condition number of the matrix H1 was too large
 The Matrix is possibly singular
 (1.79549012562143,0.000000000000000E+000)           1           0
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