[Wien] Error in initialization step for Si example

Dear Developers, I have always been able to successfully do the initialization step. However, I get the following error message while doing initialization and it stops working. *How should I proceed?* * next is symmetry> symmetry(20:44:26) forrtl: severe (24): end-of-file during r

[Wien] GAP2 - Calculating screened coulomb interaction - w

Hi, How and in which step is the dielectric matrix calculated while performing the GW calculations using GAP2? Do we use generalized plasmon pole model or is it a full frequency calculation? Warm regards, Eesha ___ Wien mailing list Wien@zeus.theoche

[Wien] Re. using GAP2 to perform GoWo on Half-metallic Heusler alloys

Hi Developers, I need an expert advice regarding the use of GAP2 for performing GoWo calculations on Half metallic Heusler alloys. When I go to GAP2 website, I see the following *limitations**:* only 20 atoms for accuracy, *no use for 2D-systems or surfaces and cannot be used for metallic syste

[Wien] GW calculations using FHI or GAP2?

Hi, I want to perform GW calculation on Wein2k DFT values. Now, I am more confused. Should I use FHI gap or GAP2? Is GAP2 a new verion of FHI gap? Further if these are freely available, I do not see download link on any of their websites. Also, can I use FHI gap or GAP2 with w2web graphical int

[Wien] Reg. Performing GW Calculations using Wien2k

Hi, I, Eesha, am pursuing Phd AT university of Arkansas. I have some experience with GW calculations using Berkeley-GW code. However, it has limitations and also, I want to use a more accurate full-potential code Wien2k. I have the following questions related to GW on WIen2k. 1) I know that FHI-G