Mohammad Alidoosti

Hi everybody, I am a new user of ELK. I want to do some calculations for zigzag phosphorene nano-ribbon . I have already optimized its structure with PWSCF package and now I want to check my results with ELK code. At the first step (Tasks 0) the following error appeared. " forrtl: severe (41): insufficient virtual memory" Next, I changed the machine (16 core+20Gig RAM) and used another one (56 core+120Gig RAM), but finally, the favorable result was not seen. That is, after several hours INFO.OUT...

Hi everybody, I want to do some calculations for zigzag phosphorene nano-ribbon . I have already optimized its structure with PWSCF package and now I want to check my results with ELK code. At the first step (Tasks 0) the following error appeared. I have read and followed the topic on the same problem and suggested solutions in the forum, however, I could not find an appropriate solution to my problem. You can find elk.in attached. I appreciate your help. Warning(linengy): could not find 8 linearisation...

Hi everybody, I want to do some calculations for zigzag phosphorene nano-ribbon . I have already optimized its structure with PWSCF package and now I want to check my results with ELK code. At the first step (Tasks 0) the following error appeared. I have read and followed the topic on the same problem and suggested solutions in the forum, however, I could not find an appropriate solution to my problem. You can find elk.in attached. I appreciate your help. Warning(linengy): could not find 8 linearisation...