Dear Guangping I want to find eigen states of molecular region in a transport calculation. As advised by you in mail archive I downloaded Inelastica1.1 and then replaced scripts in package directory with subversion files.... Then I installed Inelastica and run EigenChannels --fdf=input.fdf --MolecularStates=2.0
I get the error Traceback (most recent call last) : File "usr/local/bin/EigenChannels" line 4, in <module>, IE.main() TypeError: main() takes exactly 1 argument (0 given) > On 25-Jul-2014, at 8:07 pm, "zgp121"<[email protected]> wrote: > > Please give more information on how you use the EigenChannels commands. That > would be much of useful. Otherwiese, nothing can be deduced. > > 2014-07-25 > 发件人：Akshu <[email protected]> > 发送时间：2014-07-25 21:03 > 主题：[SIESTA-L] EigenChannels problem in Inelastica > 收件人："[email protected]"<[email protected]> > 抄送： > > > Dear siesta users > When I try to run EigenChannels script in revised subversion of Inelastica > package to get the eigen states I get the following error: > > TypeError: main() takes exactly 1 argument (0 given) > > Can someone help with this... > Thanks > Akshu
