density of graphite states

Posted on : July 17, 2018 (Tue) 09:24:09

by sellam abdellah

Hi mister
thank you very much for the modfication
but the program does not work, he showed me the following message
12-Jul-2018
9:19:35 p.m.
*** msg in specx ... ncmpx too large
cpu used 0.00 sec
elapsed time 0.00 sec (2 threads)
who what should I do
i changed some number in specx.f
but still the same message
thank you

[Re:04] density of graphite states

Posted on : October 20, 2018 (Sat) 07:12:41

by sellam abdellah

thank you so much

[Re:03] density of graphite states

Posted on : October 17, 2018 (Wed) 06:56:51

by Hitoshi GOMI

Hello sellam abdellah,

I am not familiar with the theoretical background of the KKR method, because I am just a user. Please ask the developers.

Hitoshi GOMI

[Re:02] density of graphite states

Posted on : October 16, 2018 (Tue) 23:54:04

by sellam abdellah

Hello sir
Thank you for your help.I want to understand the theoretical development of KKR, if you swap to send me this theory. thank you so much

[Re:01] density of graphite states

Posted on : September 08, 2018 (Sat) 01:46:36

by Hitoshi GOMI

Hello sellam abdellah,

Please update the AkaiKKR package.
The cpa2002v010 can calculate it without any edit of specx.f, which is previously required.

Hitoshi GOMI