Dear Liangzhi Kou, I have encountered the same problem with siesta-3.0-b, but havent'n gone any further into solving this issue. It is as you put it in your previuos message, the external electric field block is completely bypassed.
Cheers, Martin Zoloff 2010/4/18 寇良志 <[email protected]>: > Is there no one encountering the same problem? > I attache the test file, the electric field in FDF is included. Please > someone using siesta-3.0.b have a testing run, it will only take several > minutes, and then return me the output file. > I want to confirm whether it is due to my possible compiling problem or just > a little bug of this beta version. > Thanks in advance! > > > ------------------ Original ------------------ > From: "寇良志"<[email protected]>; > Date: Wed, Apr 14, 2010 02:52 PM > To: "siesta-l"<[email protected]>; > Subject: [SIESTA-L] The block of ExternalElectricField is not working > inSIESTA-3b and TranSIESTA > > Dear all > > I have compiled the SIESTA-3.0-b and transiesta sucessfully in our compter > cluster. The testing results for electronic properties of some > semiconductors or magnetic properties of some metals are also consitent with > those calculated by siesta-2.0.2. But When I want to investigate the effect > of external electric field on electronic or magnetic properties, a problem > arises. A *fdf file containing %block ExternalElectricField, which is proved > to work well in siesta-2.0.2 to investigate the effect of electric field, > directly neglect the applied electric field and go on computing as that > under zero field. The similar problem is also presented in compiled > TranSIESTA. what is the reason? > Is there someone encounting the same problem as me? > Any suggestion for this problem is welcome! > > Thanks > > Best regards > > Liangzhi Kou > -- Universidad Nacional de Córdoba Facultad de Ciencias Químicas Departamento de Matemática y Física Edificio Integrador - Subsuelo Ciudad Universitaria X5000HUA - Córdoba Argentina Tel/Fax. +54 351 434-4972
