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| EPS_FILTER_IM_TIME {Real} | |
| Determines threshold for DBCSR based multiply P(it)=(Mocc(it))^T*Mvirt(it). Threshold for Mocc/virt(it)=(abP)*D_ad^occ/virt(it) is determined by EPS_FILTER in WFC_GPW. Default should be kept. | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E-008 |
| GROUP_SIZE_3C {Integer} | |
| Group size used for cutting the RI index P in (alpha beta P) and for the multiplication M^occ/virt(it)=(alpha beta P)*D^occ/virt. Has to be increased for larger systems, at least linearly with system size, at most quadratically in system size. | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 1 |
| GROUP_SIZE_P {Integer} | |
| Group size used for the calculation of P(it)=(Mocc(it))^T*Mvirt(it). Default is to use a single process. A larger group size (for example the node size), could be recommended for larger systems, since the P matrix is replicated in every group. | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 1 |
| MAO {Logical} | |
| Decide whether to use modified atomic orbitals to reduce the prefactor of the quadratic-scaling step in im. time RPA. The number of MAOsper atom have to be specified in the KIND section for all elements. | |
| This keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
| MEMORY_CUT {Integer} | |
| Cuts the memory of the M_munu_P^occ/virt matrix by the factor given. The calculation is slowed down when using a high value of MEMORY_CUT. A high value for MEMORY_CUT is recommended for large systems in order not to run out of memory. | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 1 |
| MEMORY_INFO {Logical} | |
| Decide whether to print memory info on the sparse matrices. | |
| This keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
| POINTS_PER_MAGNITUDE {Integer} | |
| Number of evaluation points (x) of the function 2x/(x^2+omega^2) per order of magnitude of the range Rc. Normally, this parameter needs not to be touched. | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 200 | |
| Alias names for this keyword: PPM |
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