[Pw_forum] Two limitations of TDDFPT?
jiayudai
daijiayu at nudt.edu.cn
Sun Mar 27 11:30:09 CEST 2011
Dear developers,
When i tested the new package of TDDFPT, i found we can not do the calculations with two cases: with more than k-points (not Gamma only), and with electronic smearing method. Is it ture ? And if these two limitations can be overcome in the new release of the QE package of 4.3?
Thanks a lot.
Jiayu
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-------------------------------------------Jiayu DaiDepartment of PhysicsNational University of Defense Technology, Changsha, 410073, P R China-----------------------------------------
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