Re: [Wien] Help on Core hole calculations

2019-05-17 Thread Sign In Alert
Hi Thanks for your answer, I am aware it is a long text, sorry for that, I'll keep in mind for future mails. Thanks for the recommendation I'll try it, Prof. Blaha already replied to my questions. Best regards Israel On Friday, May 17, 2019, 6:39:01 AM GMT-6, delamora wrote: Estima

[Wien] Core hole calculations

2019-05-14 Thread Sign In Alert
Dear all I have read some of the discussions in the mailing list (https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11037.html) and somewhere else but I couldn’t find some useful information to solve my doubts; I actually got more confused. I am doing core hole calculations for

Re: [Wien] Help

2018-06-25 Thread Sign In Alert
e and had some experience with that.  Hopefully that helps and good luck. On 6/21/2018 2:57 PM, Sign In Alert wrote: Good day I hope anyone can help me with the following problems. I am working with gfortran installed on linux mint 18.3, (16 GB RAM, 260 GB disk space, intel

Re: [Wien] Help

2018-06-25 Thread Sign In Alert
ack of fights over computing time on the HPC cluster at your local university, company, and/or computing center.  The search for a collaborator to use theirs.  Been there and had some experience with that.  Hopefully that helps and good luck. On 6/21/2018 2:57 PM, Sign In Alert wrote:

[Wien] Help

2018-06-21 Thread Sign In Alert
Good day I hope anyone can help me with the following problems. I am working with gfortran installed on linux mint 18.3, (16 GB RAM, 260 GB disk space, intel i7, 2.7 GHz) wien2k 17.1. I just installed wien2k and it seems that the installation went well. So I decided to test the software reprod