What's the problem?
Posted: Thu Mar 05, 2009 9:54 am
Dear all
as running VASP, the result is :
DAV: 13 -0.190748546670E+02 -0.61893E-03 -0.13594E-04 1472 0.640E-02
0.902E-03
DAV: 14 -0.190752333682E+02 -0.37870E-03 -0.76810E-05 1344 0.373E-02
0.454E-03
DAV: 15 -0.190752394678E+02 -0.60996E-05 -0.22961E-06 1336 0.116E-02
1 F= -.15492427E+02 E0= -.15492427E+02 d E =-.154924E+02
the E0= -.15492427E+02
but in DAV: 15 -0.190752394678E+02
the two E are different, what's the problem?
thanks for help.
as running VASP, the result is :
DAV: 13 -0.190748546670E+02 -0.61893E-03 -0.13594E-04 1472 0.640E-02
0.902E-03
DAV: 14 -0.190752333682E+02 -0.37870E-03 -0.76810E-05 1344 0.373E-02
0.454E-03
DAV: 15 -0.190752394678E+02 -0.60996E-05 -0.22961E-06 1336 0.116E-02
1 F= -.15492427E+02 E0= -.15492427E+02 d E =-.154924E+02
the E0= -.15492427E+02
but in DAV: 15 -0.190752394678E+02
the two E are different, what's the problem?
thanks for help.