[Wien] about file.inst

[翠玉 耿]

Dear Kevin:

        Thanks for your reply. There is 26 inequivalent atom in my system, but the *.inst only gives 21( it seems the maximum number). I don't know how to increase it. Maybe I should change something by siteconfig? While in the userguide it is said in wien2k all important arrays are allocated dynamically. Then what i should do?

regards 





---------------------------------
Do You Yahoo!?
启用电邮帐号，领会雅虎通[身临其境聊电影]的动感魅力，还有网络摄像头+雅虎通收音机等你来拿
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20030912/3323e3d5/attachment.html