Re: [Wien] COOP

2017-10-09 Thread Gavin Abo
You may want to contact Prof. Dronskowski's group and ask if they are doing any development of the COHP/COOP LOBSTER program for WIEN2k.  As it says "Other codes may follow…" on their website: http://schmeling.ac.rwth-aachen.de/cohp/ If you are good at programming, you may want to ask them wha

Re: [Wien] COOP

2017-10-09 Thread Peter Blaha
No, this is not implemented. Am 09.10.2017 um 13:08 schrieb ben amara imen: Dear I don't know whether or not wien2k can calculate COOP (Crystal Orbital Overlap Populations)?. Thanks ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus

Re: [Wien] LAPWDM crashed - forrtl: severe (39): error during read, unit 9, file .../.vectorup

2017-10-09 Thread Rui Mario da Silva Costa
Installed the version 18.0.0 of ifort and it is now working. Thank you very much. Best regards, Rui Costa. --- Rui Mário Costa up201100...@fc.up.pt Estudante FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DO PORTO Rua do Campo Alegre, s/n, 4169-007 Porto, Portugal www.fc.up.pt [1] A 2017-10-04 1

[Wien] COOP

2017-10-09 Thread ben amara imen
Dear I don't know whether or not wien2k can calculate COOP (Crystal Orbital Overlap Populations)?. Thanks ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://w