Details of Minor Changes¶
Followings are history of fixed bugs and changes of models/inputs/outputs after releasing v.2.0.0. (not complete list currently)
(Fixed in v.2.0.2)
Small noise on the total energy in TDDFT calculation (that is seen with weak pulse around e.g. I=1d9 W/cm2) has been removed.
The printed absolute values of electron density in cube format has been fixed..
Printing of the external field in TDDFT calculation of the isolated system has a bug in v.2.0.0 and v.2.0.1. It has been fixed in v.2.0.2.
The file reading option of the external electric field in TDDFT calculation ("file_input1" in &emfield) has been fixed.
Invalid occupation number printed in SYSNAME_ovlp.data file for projection option with non-uniform k-points has been fixed.
(Fixed in v.2.0.0)
The imaginary part of wavefunction was not printed in cube format until v.1.2.1
(Fixed in v.?.?.?)
Abnormal calculation that sometimes happens if zero value is included in the atomic coordinate in the input with "A_eV_fs" has been fiexd.
Changes of models/inputs/outputs¶
The definition of the total energy of the periodic system printed in TDDFT calculation has changed: The electric field energy is included until v.2.0.1. It has not been included from v.2.0.2.
The directory names generated by "method_wf_distributor=slice" option have changed from v.2.0.2.